Proske M, Janowski R, Bacher S, Kang HS, Monecke T, Koehler T, Hutten S, Tretter J, Crois A, Molitor L, Varela-Rial A, Fino R, Donati E, De Fabritiis G, Dormann D, Sattler M, Niessing D (2024)
PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
eLife, Vol. 13
DOI: 10.7554/eLife.93561, PubMed: 38655849 |
Gaussmann S, Peschel R, Ott J, Zak KM, Sastre J, Delhommel F, Popowicz GM, Boekhoven J, Schliebs W, Erdmann R, Sattler M (2024)
Modulation of peroxisomal import by the PEX13 SH3 domain and a proximal FxxxF binding motif.
Nature communications, Issue 1, Vol. 15, 3317
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Chen YL, Jones AN, Crawford A, Sattler M, Ettinger A, Torres-Padilla ME (2024)
Determinants of minor satellite RNA function in chromosome segregation in mouse embryonic stem cells.
The Journal of cell biology, Issue 7, Vol. 223
DOI: 10.1083/jcb.202309027, PubMed: 38625077 |
Hartog PBR, Krüger F, Genheden S, Tetko IV (2024)
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition.
Journal of cheminformatics, Issue 1, Vol. 16, 39
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Klingelhuber F, Frendo-Cumbo S, Omar-Hmeadi M, Massier L, Kakimoto P, Taylor AJ, Couchet M, Ribicic S, Wabitsch M, Messias AC, Iuso A, Müller TD, Rydén M, Mejhert N, Krahmer N (2024)
A spatiotemporal proteomic map of human adipogenesis.
Nature metabolism
DOI: 10.1038/s42255-024-01025-8, PubMed: 38565923 |
Matsuda A, Plewka J, Rawski M, Mourão A, Zajko W, Siebenmorgen T, Kresik L, Lis K, Jones AN, Pachota M, Karim A, Hartman K, Nirwal S, Sonani R, Chykunova Y, Minia I, Mak P, Landthaler M, Nowotny M, Dubin G, Sattler M, Suder P, Popowicz GM, Pyrć K, Czarna A (2024)
Despite the odds: formation of the SARS-CoV-2 methylation complex.
Nucleic acids research
DOI: 10.1093/nar/gkae165, PubMed: 38499483 |
Xu M, Ito-Kureha T, Kang HS, Chernev A, Raj T, Hoefig KP, Hohn C, Giesert F, Wang Y, Pan W, Ziętara N, Straub T, Feederle R, Daniel C, Adler B, König J, Feske S, Tsokos GC, Wurst W, Urlaub H, Sattler M, Kisielow J, Wulczyn FG, Łyszkiewicz M, Heissmeyer V (2024)
The thymocyte-specific RNA-binding protein Arpp21 provides TCR repertoire diversity by binding to the 3'-UTR and promoting Rag1 mRNA expression.
Nature communications, Issue 1, Vol. 15, 2194
DOI: 10.1038/s41467-024-46371-z, PubMed: 38467629 |
Nakamura T, Ito J, Mourão ASD, Wahida A, Nakagawa K, Mishima E, Conrad M (2024)
A tangible method to assess native ferroptosis suppressor activity.
Cell reports methods, Issue 3, Vol. 4, 100710
DOI: 10.1016/j.crmeth.2024.100710, PubMed: 38401540 |
Sturla S, Dai J, Kraegeloh A, Normura D, Tetko I, Wang Y, Serrano J (2024)
Invitation to Apply or Nominate for Membership in the Early Career Board of Chemical Research in Toxicology.
Chemical research in toxicology, Issue 2, Vol. 37, 127-128
DOI: 10.1021/acs.chemrestox.3c00415, PubMed: 38369925 |
Hunklinger A, Hartog P, Šícho M, Godin G, Tetko IV (2024)
The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge.
SLAS discovery : advancing life sciences R & D, Issue 2, Vol. 29, 100144
DOI: 10.1016/j.slasd.2024.01.005, PubMed: 38316342 |
Roca-Martínez J, Kang HS, Sattler M, Vranken W (2024)
Analysis of the inter-domain orientation of tandem RRM domains with diverse linkers: connecting experimental with AlphaFold2 predicted models.
NAR genomics and bioinformatics, Issue 1, Vol. 6, lqae002
DOI: 10.1093/nargab/lqae002, PubMed: 38288375 |
Giehler F, Ostertag MS, Sommermann T, Weidl D, Sterz KR, Kutz H, Moosmann A, Feller SM, Geerlof A, Biesinger B, Popowicz GM, Kirchmair J, Kieser A (2024)
Epstein-Barr virus-driven B cell lymphoma mediated by a direct LMP1-TRAF6 complex.
Nature communications, Issue 1, Vol. 15, 414
DOI: 10.1038/s41467-023-44455-w, PubMed: 38195569 |
Lewinski M, Steffen A, Kachariya N, Elgner M, Schmal C, Messini N, Köster T, Reichel M, Sattler M, Zarnack K, Staiger D (2023)
Arabidopsis thaliana GLYCINE RICH RNA-BINDING PROTEIN 7 interaction with its iCLIP target LHCB1.1 correlates with changes in RNA stability and circadian oscillation.
The Plant journal : for cell and molecular biology
DOI: 10.1111/tpj.16601, PubMed: 38124335 |
Voinarovska V, Kabeshov M, Dudenko D, Genheden S, Tetko IV (2024)
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges.
Journal of chemical information and modeling, Issue 1, Vol. 64, 42-56
DOI: 10.1021/acs.jcim.3c01524, PubMed: 38116926 |
Aretz J, Aziz M, Strohmeyer N, Sattler M, Fässler R (2023)
Talin and kindlin use integrin tail allostery and direct binding to activate integrins.
Nature structural & molecular biology, Issue 12, Vol. 30, 1913-1924
DOI: 10.1038/s41594-023-01139-9, PubMed: 38087085 |
Fukumura K, Sperotto L, Seuß S, Kang HS, Yoshimoto R, Sattler M, Mayeda A (2023)
SAP30BP interacts with RBM17/SPF45 to promote splicing in a subset of human short introns.
Cell reports, 113534
DOI: 10.1016/j.celrep.2023.113534, PubMed: 38065098 |
Higuera-Rodriguez RA, De Pascali MC, Aziz M, Sattler M, Rant U, Kaiser W (2023)
Kinetic FRET Assay to Measure Binding-Induced Conformational Changes of Nucleic Acids.
ACS sensors, Issue 8, 4597-4606
DOI: 10.1021/acssensors.3c01527, PubMed: 38060303 |
Kitel R, Surmiak E, Borggräfe J, Kalinowska-Tluscik J, Golik P, Czub M, Uzar W, Musielak B, Madej M, Popowicz GM, Dubin G, Holak TA (2023)
Discovery of Inhibitory Fragments That Selectively Target Spire2-FMN2 Interaction.
Journal of medicinal chemistry, Issue 23, Vol. 66, 15715-15727
DOI: 10.1021/acs.jmedchem.3c00877, PubMed: 38039505 |
Schmidt H, Raj T, O'Neill TJ, Muschaweckh A, Giesert F, Negraschus A, Hoefig KP, Behrens G, Esser L, Baumann C, Feederle R, Plaza-Sirvent C, Geerlof A, Gewies A, Isay SE, Ruland J, Schmitz I, Wurst W, Korn T, Krappmann D, Heissmeyer V (2023)
Unrestrained cleavage of Roquin-1 by MALT1 induces spontaneous T cell activation and the development of autoimmunity.
Proceedings of the National Academy of Sciences of the United States of America, Issue 48, Vol. 120, e2309205120
DOI: 10.1073/pnas.2309205120, PubMed: 37988467 |
Nakamura T, Mishima E, Yamada N, Mourão ASD, Trümbach D, Doll S, Wanninger J, Lytton E, Sennhenn P, Nishida Xavier da Silva T, Angeli JPF, Sattler M, Proneth B, Conrad M (2023)
Integrated chemical and genetic screens unveil FSP1 mechanisms of ferroptosis regulation.
Nature structural & molecular biology, Issue 11, Vol. 30, 1806-1815
DOI: 10.1038/s41594-023-01136-y, PubMed: 37957306 |
Pustelny K, Grygier P, Barzowska A, Pucelik B, Matsuda A, Mrowiec K, Slugocka E, Popowicz GM, Dubin G, Czarna A (2023)
Binding mechanism and biological effects of flavone DYRK1A inhibitors for the design of new antidiabetics.
Scientific reports, Issue 1, Vol. 13, 18114
DOI: 10.1038/s41598-023-44810-3, PubMed: 37872245 |
Aschenbrenner I, Siebenmorgen T, Lopez A, Parr M, Ruckgaber P, Kerle A, Rührnößl F, Catici D, Haslbeck M, Frishman D, Sattler M, Zacharias M, Feige MJ (2023)
Assembly-dependent structure formation shapes human interleukin-23 versus interleukin-12 secretion.
Journal of molecular biology, Issue 23, Vol. 435, 168300
DOI: 10.1016/j.jmb.2023.168300, PubMed: 37805067 |
Vincenzi M, Kremić A, Jouve A, Lattanzi R, Miele R, Benharouga M, Alfaidy N, Migrenne-Li S, Kanthasamy AG, Porcionatto M, Ferrara N, Tetko IV, Désaubry L, Nebigil CG (2023)
Therapeutic Potential of Targeting Prokineticin Receptors in Diseases.
Pharmacological reviews, Issue 6, Vol. 75, 1167-1199
DOI: 10.1124/pharmrev.122.000801, PubMed: 37684054 |
Menezes F, Popowicz GM (2023)
When catchers meet - a computational study on the dimerization of the Buckycatcher.
Physical chemistry chemical physics : PCCP, Issue 35, Vol. 25, 24031-24041
DOI: 10.1039/d3cp02903d, PubMed: 37646477 |
Liesenhoff C, Paulus SM, Havertz C, Geerlof A, Priglinger S, Priglinger CS, Ohlmann A (2023)
Endogenous Galectin-1 Modulates Cell Biological Properties of Immortalized Retinal Pigment Epithelial Cells In Vitro.
International journal of molecular sciences, Issue 16, Vol. 24
DOI: 10.3390/ijms241612635, PubMed: 37628816 |
Klambauer G, Clevert DA, Shah I, Benfenati E, Tetko IV (2023)
Introduction to the Special Issue: AI Meets Toxicology.
Chemical research in toxicology, Issue 8, Vol. 36, 1163-1167
DOI: 10.1021/acs.chemrestox.3c00217, PubMed: 37599584 |
Enders L, Siklos M, Borggräfe J, Gaussmann S, Koren A, Malik M, Tomek T, Schuster M, Reiniš J, Hahn E, Rukavina A, Reicher A, Casteels T, Bock C, Winter GE, Hannich JT, Sattler M, Kubicek S (2023)
Pharmacological perturbation of the phase-separating protein SMNDC1.
Nature communications, Issue 1, Vol. 14, 4504
DOI: 10.1038/s41467-023-40124-0, PubMed: 37587144 |
Tallawi M, Amrein D, Gemmecker G, Aifantis KE, Drechsler K (2023)
A novel polysaccharide/zein conjugate as an alternative green plastic.
Scientific reports, Issue 1, Vol. 13, 13161
DOI: 10.1038/s41598-023-40293-4, PubMed: 37573459 |
Ebersberger S, Hipp C, Mulorz MM, Buchbender A, Hubrich D, Kang HS, Martínez-Lumbreras S, Kristofori P, Sutandy FXR, Llacsahuanga Allcca L, Schönfeld J, Bakisoglu C, Busch A, Hänel H, Tretow K, Welzel M, Di Liddo A, Möckel MM, Zarnack K, Ebersberger I, Legewie S, Luck K, Sattler M, König J (2023)
FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns.
Molecular cell, Issue 15, Vol. 83, 2653
DOI: 10.1016/j.molcel.2023.07.002, PubMed: 37506698 |
Troisi R, Napolitano V, Rossitto E, Osman W, Nagano M, Wakui K, Popowicz GM, Yoshimoto K, Sica F (2023)
Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide.
Nucleic acids research, Issue 16, Vol. 51, 8880-8890
DOI: 10.1093/nar/gkad634, PubMed: 37503836 |
Soni K, Jagtap PKA, Martínez-Lumbreras S, Bonnal S, Geerlof A, Stehle R, Simon B, Valcárcel J, Sattler M (2023)
Structural basis for specific RNA recognition by the alternative splicing factor RBM5.
Nature communications, Issue 1, Vol. 14, 4233
DOI: 10.1038/s41467-023-39961-w, PubMed: 37454201 |
Vistoli G, Manelfi C, Talarico C, Fava A, Warshel A, Tetko IV, Apostolov R, Ye Y, Latini C, Ficarelli F, Palermo G, Gadioli D, Vitali E, Varriale G, Pisapia V, Scaturro M, Coletti S, Gregori D, Gruffat D, Leija E, Hessenauer S, Delbianco A, Allegretti M, Beccari AR (2023)
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions.
Expert opinion on drug discovery, Issue 8, Vol. 18, 821-833
DOI: 10.1080/17460441.2023.2221025, PubMed: 37424369 |
Mishima E, Nakamura T, Zheng J, Zhang W, Mourão ASD, Sennhenn P, Conrad M (2023)
DHODH inhibitors sensitize to ferroptosis by FSP1 inhibition.
Nature, Issue 7968, Vol. 619, E9-E18
DOI: 10.1038/s41586-023-06269-0, PubMed: 37407687 |
Marciniak M, Mróz P, Napolitano V, Kalel VC, Fino R, Pykacz E, Schliebs W, Plettenburg O, Erdmann R, Sattler M, Popowicz GM, Dawidowski M (2023)
Development of novel PEX5-PEX14 protein-protein interaction (PPI) inhibitors based on an oxopiperazine template.
European journal of medicinal chemistry, Vol. 258, 115587
DOI: 10.1016/j.ejmech.2023.115587, PubMed: 37406382 |
Nakamura T, Hipp C, Santos Dias Mourão A, Borggräfe J, Aldrovandi M, Henkelmann B, Wanninger J, Mishima E, Lytton E, Emler D, Proneth B, Sattler M, Conrad M (2023)
Phase separation of FSP1 promotes ferroptosis.
Nature, Issue 7969, Vol. 619, 371-377
DOI: 10.1038/s41586-023-06255-6, PubMed: 37380771 |
Calonaci N, Bernetti M, Jones A, Sattler M, Bussi G (2023)
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments.
Journal of chemical theory and computation, Issue 12, Vol. 19, 3672-3685
DOI: 10.1021/acs.jctc.3c00084, PubMed: 37288967 |
Svilenov HL, Delhommel F, Siebenmorgen T, Rührnößl F, Popowicz GM, Reiter A, Sattler M, Brockmeyer C, Buchner J (2023)
Extrinsic stabilization of antiviral ACE2-Fc fusion proteins targeting SARS-CoV-2.
Communications biology, Issue 1, Vol. 6, 386
DOI: 10.1038/s42003-023-04762-w, PubMed: 37031320 |
Menezes F, Popowicz GM (2023)
A Buckycatcher in Solution-A Computational Perspective.
Molecules (Basel, Switzerland), Issue 6, Vol. 28
DOI: 10.3390/molecules28062841, PubMed: 36985812 |
Agam G, Gebhardt C, Popara M, Mächtel R, Folz J, Ambrose B, Chamachi N, Chung SY, Craggs TD, de Boer M, Grohmann D, Ha T, Hartmann A, Hendrix J, Hirschfeld V, Hübner CG, Hugel T, Kammerer D, Kang HS, Kapanidis AN, Krainer G, Kramm K, Lemke EA, Lerner E, Margeat E, Martens K, Michaelis J, Mitra J, Moya Muñoz GG, Quast RB, Robb NC, Sattler M, Schlierf M, Schneider J, Schröder T, Sefer A, Tan PS, Thurn J, Tinnefeld P, van Noort J, Weiss S, Wendler N, Zijlstra N, Barth A, Seidel CAM, Lamb DC, Cordes T (2023)
Reliability and accuracy of single-molecule FRET studies for characterization of structural dynamics and distances in proteins.
Nature methods, Issue 4, Vol. 20
DOI: 10.1038/s41592-023-01807-0, PubMed: 36973549 |
Escher BI, Altenburger R, Blüher M, Colbourne JK, Ebinghaus R, Fantke P, Hein M, Köck W, Kümmerer K, Leipold S, Li X, Scheringer M, Scholz S, Schloter M, Schweizer PJ, Tal T, Tetko I, Traidl-Hoffmann C, Wick LY, Fenner K (2023)
Modernizing persistence-bioaccumulation-toxicity (PBT) assessment with high throughput animal-free methods.
Archives of toxicology, Issue 5, Vol. 97, 1267-1283
DOI: 10.1007/s00204-023-03485-5, PubMed: 36952002 |
Grygier P, Pustelny K, Nowak J, Golik P, Popowicz GM, Plettenburg O, Dubin G, Menezes F, Czarna A (2023)
Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective.
Journal of medicinal chemistry, Issue 6, Vol. 66, 4009-4024
DOI: 10.1021/acs.jmedchem.2c01887, PubMed: 36883902 |
Weller M, Sattler M, Rant U (2023)
Development of an aptamer-based screening for identification and characterization of novel RNA therapeutics using switchSENSE® technology.
Biophysical journal, Issue 3S1, Vol. 122, 357a
DOI: 10.1016/j.bpj.2022.11.1974, PubMed: 36783808 |
Roca-Martínez J, Dhondge H, Sattler M, Vranken WF (2023)
Deciphering the RRM-RNA recognition code: A computational analysis.
PLoS computational biology, Issue 1, Vol. 19, e1010859
DOI: 10.1371/journal.pcbi.1010859, PubMed: 36689472 |
Zanuttigh E, Derderian K, Güra MA, Geerlof A, Di Meo I, Cavestro C, Hempfling S, Ortiz-Collazos S, Mauthe M, Kmieć T, Cammarota E, Panzeri MC, Klopstock T, Sattler M, Winkelmann J, Messias AC, Iuso A (2023)
Identification of Autophagy as a Functional Target Suitable for the Pharmacological Treatment of Mitochondrial Membrane Protein-Associated Neurodegeneration (MPAN) In Vitro.
Pharmaceutics, Issue 1, Vol. 15
DOI: 10.3390/pharmaceutics15010267, PubMed: 36678896 |
Delhommel F, Martínez-Lumbreras S, Sattler M (2023)
Combining NMR, SAXS and SANS to characterize the structure and dynamics of protein complexes.
Methods in enzymology, Vol. 678, 263-297
DOI: 10.1016/bs.mie.2022.09.020, PubMed: 36641211 |
Keil P, Wulf A, Kachariya N, Reuscher S, Hühn K, Silbern I, Altmüller J, Keller M, Stehle R, Zarnack K, Sattler M, Urlaub H, Sträßer K (2023)
Npl3 functions in mRNP assembly by recruitment of mRNP components to the transcription site and their transfer onto the mRNA.
Nucleic acids research, Issue 2, Vol. 51, 831-851
DOI: 10.1093/nar/gkac1206, PubMed: 36583366 |
Chora AF, Pedroso D, Kyriakou E, Pejanovic N, Colaço H, Gozzelino R, Barros A, Willmann K, Velho T, Moita CF, Santos I, Pereira P, Carvalho S, Martins FB, Ferreira JA, de Almeida SF, Benes V, Anrather J, Weis S, Soares MP, Geerlof A, Neefjes J, Sattler M, Messias AC, Neves-Costa A, Moita LF (2022)
DNA damage independent inhibition of NF-κB transcription by anthracyclines.
eLife, Vol. 11
DOI: 10.7554/eLife.77443, PubMed: 36476511 |
Gopalswamy M, Zheng C, Gaussmann S, Kooshapur H, Hambruch E, Schliebs W, Erdmann R, Antes I, Sattler M (2023)
Distinct conformational and energetic features define the specific recognition of (di)aromatic peptide motifs by PEX14.
Biological chemistry, Issue 2-3, Vol. 404, 179-194
DOI: 10.1515/hsz-2022-0177, PubMed: 36437542 |
Petriman NA, Loureiro-López M, Taschner M, Zacharia NK, Georgieva MM, Boegholm N, Wang J, Mourão A, Russell RB, Andersen JS, Lorentzen E (2022)
Biochemically validated structural model of the 15-subunit intraflagellar transport complex IFT-B.
The EMBO journal, Issue 24, Vol. 41, e112440
DOI: 10.15252/embj.2022112440, PubMed: 36354106 |
Daniilidis M, Brandl MJ, Hagn F (2022)
The Advanced Properties of Circularized MSP Nanodiscs Facilitate High-resolution NMR Studies of Membrane Proteins.
Journal of molecular biology, Issue 24, Vol. 434, 167861
DOI: 10.1016/j.jmb.2022.167861, PubMed: 36273602 |
Narayanan D, Tran KT, Pallesen JS, Solbak SMØ, Qin Y, Mukminova E, Luchini M, Vasilyeva KO, González Chichón D, Goutsiou G, Poulsen C, Haapanen N, Popowicz GM, Sattler M, Olagnier D, Gajhede M, Bach A (2022)
Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
Journal of medicinal chemistry, Issue 21, Vol. 65, 14481-14526
DOI: 10.1021/acs.jmedchem.2c00830, PubMed: 36263945 |
Napolitano V, Mróz P, Marciniak M, Kalel VC, Softley CA, Janna Olmos JD, Tippler BG, Schorpp K, Rioton S, Fröhlich T, Plettenburg O, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dawidowski M, Dubin G (2022)
Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
European journal of medicinal chemistry, Vol. 243, 114778
DOI: 10.1016/j.ejmech.2022.114778, PubMed: 36194937 |
Blahut J, Brandl MJ, Pradhan T, Reif B, Tošner Z (2022)
Sensitivity-Enhanced Multidimensional Solid-State NMR Spectroscopy by Optimal-Control-Based Transverse Mixing Sequences.
Journal of the American Chemical Society, Issue 38, Vol. 144, 17336-17340
DOI: 10.1021/jacs.2c06568, PubMed: 36074981 |
Kitel R, Rodríguez I, Del Corte X, Atmaj J, Żarnik M, Surmiak E, Muszak D, Magiera-Mularz K, Popowicz GM, Holak TA, Musielak B (2022)
Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments.
ACS chemical biology, Issue 9, Vol. 17, 2655-2663
DOI: 10.1021/acschembio.2c00583, PubMed: 36073782 |
Napolitano V, Softley CA, Blat A, Kalel VC, Schorpp K, Siebenmorgen T, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dubin G (2022)
Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma.
Scientific reports, Issue 1, Vol. 12, 14705
DOI: 10.1038/s41598-022-18841-1, PubMed: 36038611 |
Tetko IV, Klambauer G, Clevert DA, Shah I, Benfenati E (2022)
Artificial Intelligence Meets Toxicology.
Chemical research in toxicology, Issue 8, Vol. 35, 1289-1290
DOI: 10.1021/acs.chemrestox.2c00196, PubMed: 35965447 |
Menezes F, Popowicz GM (2022)
ULYSSES: An Efficient and Easy to Use Semiempirical Library for C+.
Journal of chemical information and modeling, Issue 16, Vol. 62, 3685-3694
DOI: 10.1021/acs.jcim.2c00757, PubMed: 35930308 |
Mishima E, Ito J, Wu Z, Nakamura T, Wahida A, Doll S, Tonnus W, Nepachalovich P, Eggenhofer E, Aldrovandi M, Henkelmann B, Yamada KI, Wanninger J, Zilka O, Sato E, Feederle R, Hass D, Maida A, Mourão ASD, Linkermann A, Geissler EK, Nakagawa K, Abe T, Fedorova M, Proneth B, Pratt DA, Conrad M (2022)
A non-canonical vitamin K cycle is a potent ferroptosis suppressor.
Nature, Issue 7924, Vol. 608, 778-783
DOI: 10.1038/s41586-022-05022-3, PubMed: 35922516 |
Jones AN, Graß C, Meininger I, Geerlof A, Klostermann M, Zarnack K, Krappmann D, Sattler M (2022)
Modulation of pre-mRNA structure by hnRNP proteins regulates alternative splicing of MALT1.
Science advances, Issue 31, Vol. 8, eabp9153
DOI: 10.1126/sciadv.abp9153, PubMed: 35921415 |
Menezes F, Popowicz GM (2022)
Acid Rain and Flue Gas: Quantum Chemical Hydrolysis of NO2.
Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 21, Vol. 23, e202200395
DOI: 10.1002/cphc.202200395, PubMed: 35875889 |
Nguyen A, Gemmecker G, Softley CA, Movsisyan LD, Pfaffeneder T, Heine A, Reuter K, Diederich F, Sattler M, Klebe G (2022)
19F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA-Guanine Transglycosylase.
ACS chemical biology, Issue 7, Vol. 17, 1745-1755
DOI: 10.1021/acschembio.2c00080, PubMed: 35763700 |
Jones AN, Walbrun A, Falleroni F, Rief M, Sattler M (2022)
Conformational Effects of a Cancer-Linked Mutation in Pri-miR-30c RNA.
Journal of molecular biology, Issue 18, Vol. 434, 167705
DOI: 10.1016/j.jmb.2022.167705, PubMed: 35760371 |
Menezes F, Popowicz GM (2022)
How to Catch the Ball: Fullerene Binding to the Corannulene Pincer.
Molecules (Basel, Switzerland), Issue 12, Vol. 27
DOI: 10.3390/molecules27123838, PubMed: 35744963 |
Jones AN, Mourão A, Czarna A, Matsuda A, Fino R, Pyrc K, Sattler M, Popowicz GM (2022)
Characterization of SARS-CoV-2 replication complex elongation and proofreading activity.
Scientific reports, Issue 1, Vol. 12, 9593
DOI: 10.1038/s41598-022-13380-1, PubMed: 35688849 |
Jussupow A, Lopez A, Baumgart M, Mader SL, Sattler M, Kaila VRI (2022)
Extended conformational states dominate the Hsp90 chaperone dynamics.
The Journal of biological chemistry, Issue 7, Vol. 298, 102101
DOI: 10.1016/j.jbc.2022.102101, PubMed: 35667441 |
Czarna A, Plewka J, Kresik L, Matsuda A, Karim A, Robinson C, O'Byrne S, Cunningham F, Georgiou I, Wilk P, Pachota M, Popowicz G, Wyatt PG, Dubin G, Pyrć K (2022)
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure (London, England : 1993), Issue 8, Vol. 30, 1050-1054.e2
DOI: 10.1016/j.str.2022.04.014, PubMed: 35609600 |
Karlov DS, Sosnin S, Tetko IV, Fedorov MV (2019)
Chemical space exploration guided by deep neural networks.
RSC advances, Issue 9, Vol. 9, 5151-5157
DOI: 10.1039/c8ra10182e, PubMed: 35514634 |
Popowicz GM, Pyrc K, Hadian K (2022)
Vaccination versus SARS-CoV-2 Omicron: three vaccine doses win the battle.
Signal transduction and targeted therapy, Issue 1, Vol. 7, 140
DOI: 10.1038/s41392-022-01000-3, PubMed: 35477929 |
Metelytsia LO, Hodyna DM, Semenyuta IV, Kovalishyn VV, Rogalsky SP, Derevianko KY, Brovarets VS, Tetko IV (2022)
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii.
Antibiotics (Basel, Switzerland), Issue 4, Vol. 11
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Hillenmayer A, Wertheimer CM, Geerlof A, Eibl KH, Priglinger S, Priglinger C, Ohlmann A (2022)
Galectin-1 and -3 in high amounts inhibit angiogenic properties of human retinal microvascular endothelial cells in vitro.
PloS one, Issue 3, Vol. 17, e0265805
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Jones AN, Tikhaia E, Mourão A, Sattler M (2022)
Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1.
Nucleic acids research, Issue 4, Vol. 50, 2350-2362
DOI: 10.1093/nar/gkac080, PubMed: 35166835 |
Rusanov AI, Dmitrieva OA, Mamardashvili NZ, Tetko IV (2022)
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins.
International journal of molecular sciences, Issue 3, Vol. 23
DOI: 10.3390/ijms23031201, PubMed: 35163123 |
Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, Mühlhofer M, Dahiya V, Hillebrand D, Popowicz GM, Kampmann M, Lamb DC, Rosenzweig R, Sattler M, Buchner J (2022)
NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Molecular cell, Issue 3, Vol. 82, 555-569.e7
DOI: 10.1016/j.molcel.2021.12.031, PubMed: 35063133 |
Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, Botwina P, Brandner S, Bostock M, Chykunova Y, Czarna A, Dubin G, Fröhlich T, Hölscher M, Jedrysik M, Matsuda A, Owczarek K, Pachota M, Plettenburg O, Potempa J, Rothenaigner I, Schlauderer F, Slysz K, Szczepanski A, Greve-Isdahl Mohn K, Blomberg B, Sattler M, Hadian K, Popowicz GM, Pyrc K (2022)
Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell chemical biology, Issue 5, Vol. 29, 774-784.e8
DOI: 10.1016/j.chembiol.2021.11.006, PubMed: 35021060 |
Li M, Gaussmann S, Tippler B, Ott J, Popowicz GM, Schliebs W, Sattler M, Erdmann R, Kalel VC (2021)
Novel Trypanocidal Inhibitors that Block Glycosome Biogenesis by Targeting PEX3-PEX19 Interaction.
Frontiers in cell and developmental biology, Vol. 9, 737159
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Lam DD, Williams RH, Lujan E, Tanabe K, Huber G, Saw NL, Merl-Pham J, Salminen AV, Lohse D, Spendiff S, Plastini MJ, Zech M, Lochmüller H, Geerlof A, Hauck SM, Shamloo M, Wernig M, Winkelmann J (2022)
Collagen VI Regulates Motor Circuit Plasticity and Motor Performance by Cannabinoid Modulation.
The Journal of neuroscience : the official journal of the Society for Neuroscience, Issue 8, Vol. 42, 1557-1573
DOI: 10.1523/JNEUROSCI.0962-21.2021, PubMed: 34965974 |
Lopez A, Dahiya V, Delhommel F, Freiburger L, Stehle R, Asami S, Rutz D, Blair L, Buchner J, Sattler M (2021)
Client binding shifts the populations of dynamic Hsp90 conformations through an allosteric network.
Science advances, Issue 51, Vol. 7, eabl7295
DOI: 10.1126/sciadv.abl7295, PubMed: 34919431 |
Olguín-Contreras LF, Mendler AN, Popowicz G, Hu B, Noessner E (2021)
Double Strike Approach for Tumor Attack: Engineering T Cells Using a CD40L:CD28 Chimeric Co-Stimulatory Switch Protein for Enhanced Tumor Targeting in Adoptive Cell Therapy.
Frontiers in immunology, Vol. 12, 750478
DOI: 10.3389/fimmu.2021.750478, PubMed: 34912334 |
Bernaudat F, Gustems M, Günther J, Oliva MF, Buschle A, Göbel C, Pagniez P, Lupo J, Signor L, Müller CW, Morand P, Sattler M, Hammerschmidt W, Petosa C (2022)
Structural basis of DNA methylation-dependent site selectivity of the Epstein-Barr virus lytic switch protein ZEBRA/Zta/BZLF1.
Nucleic acids research, Issue 1, Vol. 50, 490-511
DOI: 10.1093/nar/gkab1183, PubMed: 34893887 |
Borchard S, Raschke S, Zak KM, Eberhagen C, Einer C, Weber E, Müller SM, Michalke B, Lichtmannegger J, Wieser A, Rieder T, Popowicz GM, Adamski J, Klingenspor M, Coles AH, Viana R, Vendelbo MH, Sandahl TD, Schwerdtle T, Plitz T, Zischka H (2022)
Bis-choline tetrathiomolybdate prevents copper-induced blood-brain barrier damage.
Life science alliance, Issue 3, Vol. 5
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Kolbeck PJ, Vanderlinden W, Gemmecker G, Gebhardt C, Lehmann M, Lak A, Nicolaus T, Cordes T, Lipfert J (2021)
Correction to 'Molecular structure, DNA binding mode, photophysical properties and recommendations for use of SYBR Gold'.
Nucleic acids research, Issue 21, Vol. 49, 12601-12602
DOI: 10.1093/nar/gkab1164, PubMed: 34850107 |
Heumüller AW, Jones AN, Mourão A, Klangwart M, Shi C, Wittig I, Fischer A, Muhly-Reinholz M, Buchmann GK, Dieterich C, Potente M, Braun T, Grote P, Jaé N, Sattler M, Dimmeler S (2022)
Locus-Conserved Circular RNA cZNF292 Controls Endothelial Cell Flow Responses.
Circulation research, Issue 1, Vol. 130, 67-79
DOI: 10.1161/CIRCRESAHA.121.320029, PubMed: 34789007 |
Ksenofontov AA, Lukanov MM, Bocharov PS, Berezin MB, Tetko IV (2022)
Deep neural network model for highly accurate prediction of BODIPYs absorption.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Issue Pt 2, Vol. 267, 120577
DOI: 10.1016/j.saa.2021.120577, PubMed: 34776377 |
Chrustowicz J, Sherpa D, Teyra J, Loke MS, Popowicz GM, Basquin J, Sattler M, Prabu JR, Sidhu SS, Schulman BA (2022)
Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases.
Journal of molecular biology, Issue 2, Vol. 434, 167347
DOI: 10.1016/j.jmb.2021.167347, PubMed: 34767800 |
Fottner M, Weyh M, Gaussmann S, Schwarz D, Sattler M, Lang K (2021)
A modular toolbox to generate complex polymeric ubiquitin architectures using orthogonal sortase enzymes.
Nature communications, Issue 1, Vol. 12, 6515
DOI: 10.1038/s41467-021-26812-9, PubMed: 34764289 |
Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2022)
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism.
Molecular informatics, Issue 3, Vol. 41, e2100151
DOI: 10.1002/minf.202100151, PubMed: 34676998 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021)
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Environmental health perspectives, Issue 10, Vol. 129, 109001
DOI: 10.1289/EHP10369, PubMed: 34647794 |
Tošner Z, Brandl MJ, Blahut J, Glaser SJ, Reif B (2021)
Maximizing efficiency of dipolar recoupling in solid-state NMR using optimal control sequences.
Science advances, Issue 42, Vol. 7, eabj5913
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Zhang X, Schuhmachers P, Mourão A, Giansanti P, Murer A, Thumann S, Kuklik-Roos C, Beer S, Hauck SM, Hammerschmidt W, Küppers R, Kuster B, Raab M, Strebhardt K, Sattler M, Münz C, Kempkes B (2021)
PLK1-dependent phosphorylation restrains EBNA2 activity and lymphomagenesis in EBV-infected mice.
EMBO reports, Issue 12, Vol. 22, e53007
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Fino R, Lenhart D, Kalel VC, Softley CA, Napolitano V, Byrne R, Schliebs W, Dawidowski M, Erdmann R, Sattler M, Schneider G, Plettenburg O, Popowicz GM (2021)
Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2,3,4,5-Tetrahydrobenzo[F][1,4]oxazepines as Potential New Trypanocidal Agents.
Journal of chemical information and modeling, Issue 10, Vol. 61, 5256-5268
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Hoefig KP, Reim A, Gallus C, Wong EH, Behrens G, Conrad C, Xu M, Kifinger L, Ito-Kureha T, Defourny KAY, Geerlof A, Mautner J, Hauck SM, Baumjohann D, Feederle R, Mann M, Wierer M, Glasmacher E, Heissmeyer V (2021)
Defining the RBPome of primary T helper cells to elucidate higher-order Roquin-mediated mRNA regulation.
Nature communications, Issue 1, Vol. 12, 5208
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Tan H, Su W, Zhang W, Zhang J, Sattler M, Zou P (2021)
Generation of novel long-acting GLP-1R agonists using DARPins as a scaffold.
International journal of pharmaceutics, Vol. 607, 121043
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Gasser A, Chen YW, Audebrand A, Daglayan A, Charavin M, Escoubet B, Karpov P, Tetko I, Chan MWY, Cardinale D, Désaubry L, Nebigil CG (2019)
Prokineticin Receptor-1 Signaling Inhibits Dose- and Time-Dependent Anthracycline-Induced Cardiovascular Toxicity Via Myocardial and Vascular Protection.
JACC. CardioOncology, Issue 1, Vol. 1, 84-102
DOI: 10.1016/j.jaccao.2019.06.003, PubMed: 34396166 |
Fukumura K, Yoshimoto R, Sperotto L, Kang HS, Hirose T, Inoue K, Sattler M, Mayeda A (2021)
SPF45/RBM17-dependent, but not U2AF-dependent, splicing in a distinct subset of human short introns.
Nature communications, Issue 1, Vol. 12, 4910
DOI: 10.1038/s41467-021-24879-y, PubMed: 34389706 |
Reyes Romero A, Lunev S, Popowicz GM, Calderone V, Gentili M, Sattler M, Plewka J, Taube M, Kozak M, Holak TA, Dömling ASS, Groves MR (2021)
A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Communications biology, Issue 1, Vol. 4, 949
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Gebhardt C, Lehmann M, Reif MM, Zacharias M, Gemmecker G, Cordes T (2021)
Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF Series.
Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 15, Vol. 22, 1546
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de Souza Degenhardt MF, Vitale PAM, Abiko LA, Zacharias M, Sattler M, Oliveira CLP, Salinas RK (2021)
Molecular insights on CALX-CBD12 interdomain dynamics from MD simulations, RDCs, and SAXS.
Biophysical journal, Issue 17, Vol. 120, 3664-3675
DOI: 10.1016/j.bpj.2021.07.022, PubMed: 34310942 |
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash A, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo D, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021)
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Environmental health perspectives, Issue 7, Vol. 129, 79001
DOI: 10.1289/EHP9883, PubMed: 34242083 |
Zak KM, Bostock MJ, Waligorska I, Thøgersen IB, Enghild JJ, Popowicz GM, Grudnik P, Potempa J, Ksiazek M (2021)
Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia.
Journal of enzyme inhibition and medicinal chemistry, Issue 1, Vol. 36, 1267-1281
DOI: 10.1080/14756366.2021.1937619, PubMed: 34210221 |
Gebhardt C, Lehmann M, Reif MM, Zacharias M, Gemmecker G, Cordes T (2021)
Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF Series*.
Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 15, Vol. 22, 1566-1583
DOI: 10.1002/cphc.202000935, PubMed: 34185946 |
Lian X, Xia Z, Li X, Karpov P, Jin H, Tetko IV, Xia J, Wu S (2021)
Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation.
Bioorganic chemistry, Vol. 114, 105042
DOI: 10.1016/j.bioorg.2021.105042, PubMed: 34120024 |
Georgiadi A, Lopez-Salazar V, Merahbi RE, Karikari RA, Ma X, Mourão A, Klepac K, Bühler L, Alfaro AJ, Kaczmarek I, Linford A, Bosma M, Shilkova O, Ritvos O, Nakamura N, Hirose S, Lassi M, Teperino R, Machado J, Scheideler M, Dietrich A, Geerlof A, Feuchtinger A, Blutke A, Fischer K, Müller TD, Kessler K, Schöneberg T, Thor D, Hornemann S, Kruse M, Nawroth P, Pivovarova-Ramich O, Pfeiffer AFH, Sattler M, Blüher M, Herzig S (2021)
Orphan GPR116 mediates the insulin sensitizing effects of the hepatokine FNDC4 in adipose tissue.
Nature communications, Issue 1, Vol. 12, 2999
DOI: 10.1038/s41467-021-22579-1, PubMed: 34016966 |
Stadler D, Kächele M, Jones AN, Hess J, Urban C, Schneider J, Xia Y, Oswald A, Nebioglu F, Bester R, Lasitschka F, Ringelhan M, Ko C, Chou WM, Geerlof A, van de Klundert MA, Wettengel JM, Schirmacher P, Heikenwälder M, Schreiner S, Bartenschlager R, Pichlmair A, Sattler M, Unger K, Protzer U (2021)
Interferon-induced degradation of the persistent hepatitis B virus cccDNA form depends on ISG20.
EMBO reports, Issue 6, Vol. 22, e49568
DOI: 10.15252/embr.201949568, PubMed: 33969602 |
Liu N, Gujrati V, Malekzadeh-Najafabadi J, Werner JPF, Klemm U, Tang L, Chen Z, Prakash J, Huang Y, Stiel A, Mettenleiter G, Aichler M, Blutke A, Walch A, Kleigrewe K, Razansky D, Sattler M, Ntziachristos V (2021)
Croconaine-based nanoparticles enable efficient optoacoustic imaging of murine brain tumors.
Photoacoustics, Vol. 22, 100263
DOI: 10.1016/j.pacs.2021.100263, PubMed: 33948433 |
Gaussmann S, Gopalswamy M, Eberhardt M, Reuter M, Zou P, Schliebs W, Erdmann R, Sattler M (2021)
Membrane Interactions of the Peroxisomal Proteins PEX5 and PEX14.
Frontiers in cell and developmental biology, Vol. 9, 651449
DOI: 10.3389/fcell.2021.651449, PubMed: 33937250 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021)
CATMoS: Collaborative Acute Toxicity Modeling Suite.
Environmental health perspectives, Issue 4, Vol. 129, 47013
DOI: 10.1289/EHP8495, PubMed: 33929906 |
Kolbeck PJ, Vanderlinden W, Gemmecker G, Gebhardt C, Lehmann M, Lak A, Nicolaus T, Cordes T, Lipfert J (2021)
Molecular structure, DNA binding mode, photophysical properties and recommendations for use of SYBR Gold.
Nucleic acids research, Issue 9, Vol. 49, 5143-5158
DOI: 10.1093/nar/gkab265, PubMed: 33905507 |
Pallesen JS, Narayanan D, Tran KT, Solbak SMØ, Marseglia G, Sørensen LME, Høj LJ, Munafò F, Carmona RMC, Garcia AD, Desu HL, Brambilla R, Johansen TN, Popowicz GM, Sattler M, Gajhede M, Bach A (2021)
Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
Journal of medicinal chemistry, Issue 8, Vol. 64, 4623-4661
DOI: 10.1021/acs.jmedchem.0c02094, PubMed: 33818106 |
Munshaw S, Bruche S, Redpath AN, Jones A, Patel J, Dubé KN, Lee R, Hester SS, Davies R, Neal G, Handa A, Sattler M, Fischer R, Channon KM, Smart N (2021)
Thymosin β4 protects against aortic aneurysm via endocytic regulation of growth factor signaling.
The Journal of clinical investigation, Issue 10, Vol. 131, e127884
DOI: 10.1172/JCI127884, PubMed: 33784254 |
Baumgart M, Röpke M, Mühlbauer ME, Asami S, Mader SL, Fredriksson K, Groll M, Gamiz-Hernandez AP, Kaila VRI (2021)
Design of buried charged networks in artificial proteins.
Nature communications, Issue 1, Vol. 12, 1895
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Liu N, O'Connor P, Gujrati V, Gorpas D, Glasl S, Blutke A, Walch A, Kleigrewe K, Sattler M, Plettenburg O, Ntziachristos V (2021)
Facile Synthesis of a Croconaine-Based Nanoformulation for Optoacoustic Imaging and Photothermal Therapy.
Advanced healthcare materials, Issue 9, Vol. 10, e2002115
DOI: 10.1002/adhm.202002115, PubMed: 33738974 |
Schuch LA, Forstner M, Rapp CK, Li Y, Smith DEC, Mendes MI, Delhommel F, Sattler M, Emiralioğlu N, Taskiran EZ, Orhan D, Kiper N, Rohlfs M, Jeske T, Hastreiter M, Gerstlauer M, Torrent-Vernetta A, Moreno-Galdó A, Kammer B, Brasch F, Reu-Hofer S, Griese M (2021)
FARS1-related disorders caused by bi-allelic mutations in cytosolic phenylalanyl-tRNA synthetase genes: Look beyond the lungs!
Clinical genetics, Issue 6, Vol. 99, 789-801
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Kleinstreuer NC, Tetko IV, Tong W (2021)
Introduction to Special Issue: Computational Toxicology.
Chemical research in toxicology, Issue 2, Vol. 34, 171-175
DOI: 10.1021/acs.chemrestox.1c00032, PubMed: 33583184 |
Calonaci N, Jones A, Cuturello F, Sattler M, Bussi G (2020)
Machine learning a model for RNA structure prediction.
NAR genomics and bioinformatics, Issue 4, Vol. 2, lqaa090
DOI: 10.1093/nargab/lqaa090, PubMed: 33575634 |
Biebl MM, Lopez A, Rehn A, Freiburger L, Lawatscheck J, Blank B, Sattler M, Buchner J (2021)
Structural elements in the flexible tail of the co-chaperone p23 coordinate client binding and progression of the Hsp90 chaperone cycle.
Nature communications, Issue 1, Vol. 12, 828
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Kang HS, Sattler M (2018)
Capturing dynamic conformational shifts in protein-ligand recognition using integrative structural biology in solution.
Emerging topics in life sciences, Issue 1, Vol. 2, 107-119
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Wu L, Huang R, Tetko IV, Xia Z, Xu J, Tong W (2021)
Trade-off Predictivity and Explainability for Machine-Learning Powered Predictive Toxicology: An in-Depth Investigation with Tox21 Data Sets.
Chemical research in toxicology, Issue 2, Vol. 34, 541-549
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Zorro Shahidian L, Haas M, Le Gras S, Nitsch S, Mourão A, Geerlof A, Margueron R, Michaelis J, Daujat S, Schneider R (2021)
Succinylation of H3K122 destabilizes nucleosomes and enhances transcription.
EMBO reports, Issue 3, Vol. 22, e51009
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Reuter M, Kooshapur H, Suda JG, Gaussmann S, Neuhaus A, Brühl L, Bharti P, Jung M, Schliebs W, Sattler M, Erdmann R (2021)
Competitive Microtubule Binding of PEX14 Coordinates Peroxisomal Protein Import and Motility.
Journal of molecular biology, Issue 5, Vol. 433, 166765
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Karpov P, Godin G, Tetko IV (2020)
Transformer-CNN: Swiss knife for QSAR modeling and interpretation.
Journal of cheminformatics, Issue 1, Vol. 12, 17
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van Deursen R, Ertl P, Tetko IV, Godin G (2020)
GEN: highly efficient SMILES explorer using autodidactic generative examination networks.
Journal of cheminformatics, Issue 1, Vol. 12, 22
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Semenyuta IV, Trush MM, Kovalishyn VV, Rogalsky SP, Hodyna DM, Karpov P, Xia Z, Tetko IV, Metelytsia LO (2021)
Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter Baumannii and Staphylococcus Aureus.
International journal of molecular sciences, Issue 2, Vol. 22
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The Charged Linker Modulates the Conformations and Molecular Interactions of Hsp90.
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The dynamics of linear polyubiquitin.
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Autophagy unleashes noncanonical microRNA functions.
Autophagy, Issue 12, Vol. 16, 2294-2296
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DNA Structure-Specific Cleavage of DNA-Protein Crosslinks by the SPRTN Protease.
Molecular cell, Issue 1, Vol. 80, 102-113.e6
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When Less Is More: Combining Site-Specific Isotope Labeling and NMR Unravels Structural Details of Huntingtin Repeats.
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Antimicrobial agents and chemotherapy, Issue 7, Vol. 64
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Science translational medicine, Issue 546, Vol. 12
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A real-time cell-binding assay reveals dynamic features of STxB-Gb3 cointernalization and STxB-mediated cargo delivery into cancer cells.
FEBS letters, Issue 15, Vol. 594, 2406-2420
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Conformational Dynamics from Ambiguous Zinc Coordination in the RanBP2-Type Zinc Finger of RBM5.
Journal of molecular biology, Issue 14, Vol. 432, 4127-4138
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QSAR without borders.
Chemical Society reviews, Issue 11, Vol. 49, 3525-3564
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An anti-inflammatory eicosanoid switch mediates the suppression of type-2 inflammation by helminth larval products.
Science translational medicine, Issue 540, Vol. 12
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Ferritin-Displayed GLP-1 with Improved Pharmacological Activities and Pharmacokinetics.
Molecular pharmaceutics, Issue 5, Vol. 17, 1663-1673
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Vieweg S, Mulholland K, Bräuning B, Kachariya N, Lai YC, Toth R, Singh PK, Volpi I, Sattler M, Groll M, Itzen A, Muqit MMK (2020)
PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
The Biochemical journal, Issue 9, Vol. 477, 1651-1668
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Structure and Molecular Recognition Mechanism of IMP-13 Metallo-β-Lactamase.
Antimicrobial agents and chemotherapy, Issue 6, Vol. 64, e00123-20
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Delhommel F, Gabel F, Sattler M (2020)
Current approaches for integrating solution NMR spectroscopy and small-angle scattering to study the structure and dynamics of biomolecular complexes.
Journal of molecular biology, Issue 9, Vol. 432, 2890-2912
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Ratkova EL, Dawidowski M, Napolitano V, Dubin G, Fino R, Ostertag MS, Sattler M, Popowicz G, Tetko IV (2020)
Water envelope has a critical impact on the design of protein-protein interaction inhibitors.
Chemical communications (Cambridge, England), Issue 31, Vol. 56, 4360-4363
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An autoinhibitory intramolecular interaction proof-reads RNA recognition by the essential splicing factor U2AF2.
Proceedings of the National Academy of Sciences of the United States of America, Issue 13, Vol. 117, 7140-7149
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Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90.
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Computational Toxicology.
Chemical research in toxicology, Issue 3, Vol. 33, 687-688
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Structure-activity relationship and cardiac safety of 2-aryl-2-(pyridin-2-yl)acetamides as a new class of broad-spectrum anticonvulsants derived from Disopyramide.
Bioorganic chemistry, Vol. 98, 103717
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In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii.
Chemical biology & drug design, Issue 6, Vol. 95, 624-630
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Detection and quantification of the anti-obesity drug celastrol in murine liver and brain.
Neurochemistry international, Vol. 136, 104713
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Conformational control of small GTPases by AMPylation.
Proceedings of the National Academy of Sciences of the United States of America, Issue 11, Vol. 117, 5772-5781
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Joint Virtual Special Issue on Computational Toxicology.
Journal of chemical information and modeling, Issue 3, Vol. 60, 1069-1071
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The Photocatalyzed Thiol-ene reaction: A New Tag to Yield Fast, Selective and reversible Paramagnetic Tagging of Proteins.
Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 9, Vol. 21, 863-869
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New Frontiers in Drug Discovery: Academia Meets Industry at the International Helmholtz Drug Discovery Conference (HDDC).
ChemMedChem, Issue 5, Vol. 15, 468-470
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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Environmental health perspectives, Issue 2, Vol. 128, 27002
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Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery.
Journal of medicinal chemistry, Issue 3, Vol. 63, 1156-1177
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Structural Insight into IAPP-Derived Amyloid Inhibitors and Their Mechanism of Action.
Angewandte Chemie (International ed. in English), Issue 14, Vol. 59, 5771-5781
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Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity.
Journal of medicinal chemistry, Issue 2, Vol. 63, 847-879
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Kaiser CJO, Peters C, Schmid PWN, Stavropoulou M, Zou J, Dahiya V, Mymrikov EV, Rockel B, Asami S, Haslbeck M, Rappsilber J, Reif B, Zacharias M, Buchner J, Weinkauf S (2019)
The structure and oxidation of the eye lens chaperone αA-crystallin.
Nature structural & molecular biology, Issue 12, Vol. 26, 1141-1150
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A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids.
Journal of hazardous materials, Vol. 384, 121429
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Accessing Methyl Groups in Proteins via 1H-detected MAS Solid-state NMR Spectroscopy Employing Random Protonation.
Scientific reports, Issue 1, Vol. 9, 15903
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Focused Library Generator: case of Mdmx inhibitors.
Journal of computer-aided molecular design, Issue 7, Vol. 34, 769-782
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FSP1 is a glutathione-independent ferroptosis suppressor.
Nature, Issue 7784, Vol. 575, 693-698
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Zak KM, Kalińska M, Wątor E, Kuśka K, Krutyhołowa R, Dubin G, Popowicz GM, Grudnik P (2019)
Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1).
International journal of molecular sciences, Issue 19, Vol. 20
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Jagtap PKA, Asami S, Sippel C, Kaila VRI, Hausch F, Sattler M (2019)
Corrigendum: Selective Inhibitors of FKBP51 Employ Conformational Selection of Dynamic Invisible States.
Angewandte Chemie (International ed. in English), Issue 39, Vol. 58, 13619
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The molecular basis of chaperone-mediated interleukin 23 assembly control.
Nature communications, Issue 1, Vol. 10, 4121
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The Hsp90 isoforms from S. cerevisiae differ in structure, function and client range.
Nature communications, Issue 1, Vol. 10, 3626
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Kalel VC, Li M, Gaussmann S, Delhommel F, Schäfer AB, Tippler B, Jung M, Maier R, Oeljeklaus S, Schliebs W, Warscheid B, Sattler M, Erdmann R (2019)
Evolutionary divergent PEX3 is essential for glycosome biogenesis and survival of trypanosomatid parasites.
Biochimica et biophysica acta. Molecular cell research, Issue 12, Vol. 1866, 118520
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Lingaraju M, Johnsen D, Schlundt A, Langer LM, Basquin J, Sattler M, Heick Jensen T, Falk S, Conti E (2019)
The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs.
Nature communications, Issue 1, Vol. 10, 3393
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Challenges and perspectives for structural biology of lncRNAs-the example of the Xist lncRNA A-repeats.
Journal of molecular cell biology, Issue 10, Vol. 11, 845-859
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Kinting S, Li Y, Forstner M, Delhommel F, Sattler M, Griese M (2019)
Potentiation of ABCA3 lipid transport function by ivacaftor and genistein.
Journal of cellular and molecular medicine, Issue 8, Vol. 23, 5225-5234
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Immune homeostasis and regulation of the interferon pathway require myeloid-derived Regnase-3.
The Journal of experimental medicine, Issue 7, Vol. 216, 1700-1723
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Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3.
Nature communications, Issue 1, Vol. 10, 2266
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Jagtap PKA, Asami S, Sippel C, Kaila VRI, Hausch F, Sattler M (2019)
Selective Inhibitors of FKBP51 Employ Conformational Selection of Dynamic Invisible States.
Angewandte Chemie (International ed. in English), Issue 28, Vol. 58, 9429-9433
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Tripsianes K, Schütz U, Emmanouilidis L, Gemmecker G, Sattler M (2019)
Selective isotope labeling for NMR structure determination of proteins in complex with unlabeled ligands.
Journal of biomolecular NMR, Issue 3-4, Vol. 73, 183-189
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Ostertag MS, Hutwelker W, Plettenburg O, Sattler M, Popowicz GM (2019)
Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
Journal of molecular biology, Issue 11, Vol. 431, 2213-2221
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Matheus F, Rusha E, Rehimi R, Molitor L, Pertek A, Modic M, Feederle R, Flatley A, Kremmer E, Geerlof A, Rishko V, Rada-Iglesias A, Drukker M (2019)
Pathological ASXL1 Mutations and Protein Variants Impair Neural Crest Development.
Stem cell reports, Issue 5, Vol. 12, 861-868
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Staufen2-mediated RNA recognition and localization requires combinatorial action of multiple domains.
Nature communications, Issue 1, Vol. 10, 1659
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Huang W, Lan D, Popowicz GM, Zak KM, Zhao Z, Yuan H, Yang B, Wang Y (2019)
Structure and characterization of Aspergillus fumigatus lipase B with a unique, oversized regulatory subdomain.
The FEBS journal, Issue 12, Vol. 286, 2366-2380
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Pabis M, Corsini L, Vincendeau M, Tripsianes K, Gibson TJ, Brack-Werner R, Sattler M (2019)
Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors.
Nucleic acids research, Issue 9, Vol. 47, 4859-4871
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The Co-chaperone Cns1 and the Recruiter Protein Hgh1 Link Hsp90 to Translation Elongation via Chaperoning Elongation Factor 2.
Molecular cell, Issue 1, Vol. 74, 73-87.e8
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BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry.
Molecular informatics, Issue 11-12, Vol. 35, 615-621
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Rupp M, Körner R, Tetko IV (2010)
Estimation of Acid Dissociation Constants Using Graph Kernels.
Molecular informatics, Issue 10, Vol. 29, 731-40
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Guo S, Popowicz GM, Li D, Yuan D, Wang Y (2016)
Lid mobility in lipase SMG1 validated using a thiol/disulfide redox potential probe.
FEBS open bio, Issue 5, Vol. 6, 477-83
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Mourão A, Christensen ST, Lorentzen E (2016)
The intraflagellar transport machinery in ciliary signaling.
Current opinion in structural biology, Vol. 41, 98-108
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Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts.
Proceedings of the National Academy of Sciences of the United States of America, Issue 30, Vol. 113, E4357-66
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Molecular basis for CPAP-tubulin interaction in controlling centriolar and ciliary length.
Nature communications, Vol. 7, 11874
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Baskin II, Winkler D, Tetko IV (2016)
A renaissance of neural networks in drug discovery.
Expert opinion on drug discovery, Issue 8, Vol. 11, 785-95
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Enthart A, Klein C, Dehner A, Coles M, Gemmecker G, Kessler H, Hagn F (2016)
Solution structure and binding specificity of the p63 DNA binding domain.
Scientific reports, Vol. 6, 26707
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Novotarskyi S, Abdelaziz A, Sushko Y, Körner R, Vogt J, Tetko IV (2016)
ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.
Chemical research in toxicology, Issue 5, Vol. 29, 768-75
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Brenke JK, Salmina ES, Ringelstetter L, Dornauer S, Kuzikov M, Rothenaigner I, Schorpp K, Giehler F, Gopalakrishnan J, Kieser A, Gul S, Tetko IV, Hadian K (2016)
Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction.
Journal of biomolecular screening, Issue 6, Vol. 21, 596-607
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Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40.
Nature communications, Vol. 7, 11032
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Jung B, Messias AC, Schorpp K, Geerlof A, Schneider G, Saur D, Hadian K, Sattler M, Wanker EE, Hasenöder S, Lickert H (2016)
Novel small molecules targeting ciliary transport of Smoothened and oncogenic Hedgehog pathway activation.
Scientific reports, Vol. 6, 22540
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Intraflagellar transport proteins 172, 80, 57, 54, 38, and 20 form a stable tubulin-binding IFT-B2 complex.
The EMBO journal, Issue 7, Vol. 35, 773-90
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CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Environmental health perspectives, Issue 7, Vol. 124, 1023-33
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Jung B, Padula D, Burtscher I, Landerer C, Lutter D, Theis F, Messias AC, Geerlof A, Sattler M, Kremmer E, Boldt K, Ueffing M, Lickert H (2016)
Pitchfork and Gprasp2 Target Smoothened to the Primary Cilium for Hedgehog Pathway Activation.
PloS one, Issue 2, Vol. 11, e0149477
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RNA recognition by Roquin in posttranscriptional gene regulation.
Wiley interdisciplinary reviews. RNA, Issue 4, Vol. 7, 455-69
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Tetko IV, M Lowe D, Williams AJ (2016)
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS.
Journal of cheminformatics, Vol. 8, 2
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Improved Accuracy from Joint X-ray and NMR Refinement of a Protein-RNA Complex Structure.
Journal of the American Chemical Society, Issue 5, Vol. 138, 1601-10
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Epithelial-to-Mesenchymal Transition of RPE Cells In Vitro Confers Increased β1,6-N-Glycosylation and Increased Susceptibility to Galectin-3 Binding.
PloS one, Issue 1, Vol. 11, e0146887
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Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nature communications, Vol. 7, 10355
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Discovery of novel dual inhibitors against Mdm2 and Mdmx proteins by in silico approaches and binding assay.
Life sciences, Vol. 145, 240-6
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Inhibition of Canonical NF-κB Signaling by a Small Molecule Targeting NEMO-Ubiquitin Interaction.
Scientific reports, Vol. 6, 18934
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Tetko IV, Varbanov HP, Galanski MS, Talmaciu M, Platts JA, Ravera M, Gabano E (2016)
Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches.
Journal of inorganic biochemistry, Vol. 156, 1-13
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Salmina ES, Haider N, Tetko IV (2015)
Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds.
Molecules (Basel, Switzerland), Issue 1, Vol. 21, E1
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Horn A, Hennig J, Ahmed YL, Stier G, Wild K, Sattler M, Sinning I (2015)
Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction.
Nature communications, Vol. 6, 8875
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Eckl JM, Scherr MJ, Freiburger L, Daake MA, Sattler M, Richter K (2015)
Hsp90·Cdc37 Complexes with Protein Kinases Form Cooperatively with Multiple Distinct Interaction Sites.
The Journal of biological chemistry, Issue 52, Vol. 290, 30843-54
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Mainz A, Peschek J, Stavropoulou M, Back KC, Bardiaux B, Asami S, Prade E, Peters C, Weinkauf S, Buchner J, Reif B (2015)
The chaperone αB-crystallin uses different interfaces to capture an amorphous and an amyloid client.
Nature structural & molecular biology, Issue 11, Vol. 22, 898-905
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Emmanouilidis L, Gopalswamy M, Passon DM, Wilmanns M, Sattler M (2016)
Structural biology of the import pathways of peroxisomal matrix proteins.
Biochimica et biophysica acta, Issue 5, Vol. 1863, 804-13
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Giannopoulou EA, Emmanouilidis L, Sattler M, Dodt G, Wilmanns M (2016)
Towards the molecular mechanism of the integration of peroxisomal membrane proteins.
Biochimica et biophysica acta, Issue 5, Vol. 1863, 863-9
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Freiburger L, Sonntag M, Hennig J, Li J, Zou P, Sattler M (2015)
Efficient segmental isotope labeling of multi-domain proteins using Sortase A.
Journal of biomolecular NMR, Issue 1, Vol. 63, 1-8
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Effects of metformin on metabolite profiles and LDL cholesterol in patients with type 2 diabetes.
Diabetes care, Issue 10, Vol. 38, 1858-67
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Lan D, Wang Q, Popowicz GM, Yang B, Tang Q, Wang Y (2015)
The Role of Residues 103, 104, and 278 in the Activity of SMG1 Lipase from Malassezia globosa: A Site-Directed Mutagenesis Study.
Journal of microbiology and biotechnology, Issue 11, Vol. 25, 1827-34
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Rybacka A, Rudén C, Tetko IV, Andersson PL (2015)
Identifying potential endocrine disruptors among industrial chemicals and their metabolites--development and evaluation of in silico tools.
Chemosphere, Vol. 139, 372-8
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Haslbeck V, Drazic A, Eckl JM, Alte F, Helmuth M, Popowicz G, Schmidt W, Braun F, Weiwad M, Fischer G, Gemmecker G, Sattler M, Striggow F, Groll M, Richter K (2015)
Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Bioscience reports, Issue 3, Vol. 35
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A Crystallin Fold in the Interleukin-4-inducing Principle of Schistosoma mansoni Eggs (IPSE/α-1) Mediates IgE Binding for Antigen-independent Basophil Activation.
The Journal of biological chemistry, Issue 36, Vol. 290, 22111-26
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Orabi A, Bieringer M, Geerlof A, Bruss V (2015)
An Aptamer against the Matrix Binding Domain on the Hepatitis B Virus Capsid Impairs Virion Formation.
Journal of virology, Issue 18, Vol. 89, 9281-7
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Structural Analysis of Protein-RNA Complexes in Solution Using NMR Paramagnetic Relaxation Enhancements.
Methods in enzymology, Vol. 558, 333-62
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Deciphering the protein-RNA recognition code: combining large-scale quantitative methods with structural biology.
BioEssays : news and reviews in molecular, cellular and developmental biology, Issue 8, Vol. 37, 899-908
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Friberg A, Thumann S, Hennig J, Zou P, Nössner E, Ling PD, Sattler M, Kempkes B (2015)
The EBNA-2 N-Terminal Transactivation Domain Folds into a Dimeric Structure Required for Target Gene Activation.
PLoS pathogens, Issue 5, Vol. 11, e1004910
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Structural and Functional Analysis of the Signal-Transducing Linker in the pH-Responsive One-Component System CadC of Escherichia coli.
Journal of molecular biology, Issue 15, Vol. 427, 2548-2561
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Lan D, Popowicz GM, Pavlidis IV, Zhou P, Bornscheuer UT, Wang Y (2015)
Conversion of a Mono- and Diacylglycerol Lipase into a Triacylglycerol Lipase by Protein Engineering.
Chembiochem : a European journal of chemical biology, Issue 10, Vol. 16, 1431-4
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A novel RNA binding surface of the TAM domain of TIP5/BAZ2A mediates epigenetic regulation of rRNA genes.
Nucleic acids research, Issue 10, Vol. 43, 5208-20
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Structural Characterization of LRRK2 Inhibitors.
Journal of medicinal chemistry, Issue 9, Vol. 58, 3751-6
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A mechanistic study into the epoxidation of carboxylic acid and alkene in a mono, di-acylglycerol lipase.
Biochemical and biophysical research communications, Issue 2, Vol. 460, 392-6
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Abdelaziz A, Sushko Y, Novotarskyi S, Körner R, Brandmaier S, Tetko IV (2015)
Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing.
Combinatorial chemistry & high throughput screening, Issue 4, Vol. 18, 420-38
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Riebold M, Kozany C, Freiburger L, Sattler M, Buchfelder M, Hausch F, Stalla GK, Paez-Pereda M (2015)
A C-terminal HSP90 inhibitor restores glucocorticoid sensitivity and relieves a mouse allograft model of Cushing disease.
Nature medicine, Issue 3, Vol. 21, 276-80
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Access to Cα backbone dynamics of biological solids by 13C T1 relaxation and molecular dynamics simulation.
Journal of the American Chemical Society, Issue 3, Vol. 137, 1094-100
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Sushko Y, Novotarskyi S, Körner R, Vogt J, Abdelaziz A, Tetko IV (2014)
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process.
Journal of cheminformatics, Issue 1, Vol. 6, 48
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Detection of hydrogen bonds in dynamic regions of RNA by NMR spectroscopy.
Current protocols in nucleic acid chemistry, Vol. 59, 7.22.1-19
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Tetko IV, Sushko Y, Novotarskyi S, Patiny L, Kondratov I, Petrenko AE, Charochkina L, Asiri AM (2014)
How accurately can we predict the melting points of drug-like compounds?
Journal of chemical information and modeling, Issue 12, Vol. 54, 3320-9
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Breaking the protein-RNA recognition code.
Cell cycle (Georgetown, Tex.), Issue 23, Vol. 13, 3619-20
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Holzmeister C, Gaupels F, Geerlof A, Sarioglu H, Sattler M, Durner J, Lindermayr C (2015)
Differential inhibition of Arabidopsis superoxide dismutases by peroxynitrite-mediated tyrosine nitration.
Journal of experimental botany, Issue 3, Vol. 66, 989-99
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Structural basis for membrane targeting of the BBSome by ARL6.
Nature structural & molecular biology, Issue 12, Vol. 21, 1035-41
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Cleavage of roquin and regnase-1 by the paracaspase MALT1 releases their cooperatively repressed targets to promote T(H)17 differentiation.
Nature immunology, Issue 11, Vol. 15, 1079-89
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Artificial accelerators of the molecular chaperone Hsp90 facilitate rate-limiting conformational transitions.
Angewandte Chemie (International ed. in English), Issue 45, Vol. 53, 12257-62
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Hennig J, Militti C, Popowicz GM, Wang I, Sonntag M, Geerlof A, Gabel F, Gebauer F, Sattler M (2014)
Structural basis for the assembly of the Sxl-Unr translation regulatory complex.
Nature, Issue 7526, Vol. 515, 287-90
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Tripsianes K, Friberg A, Barrandon C, Brooks M, van Tilbeurgh H, Seraphin B, Sattler M (2014)
A novel protein-protein interaction in the RES (REtention and Splicing) complex.
The Journal of biological chemistry, Issue 41, Vol. 289, 28640-50
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Schlundt A, Heinz GA, Janowski R, Geerlof A, Stehle R, Heissmeyer V, Niessing D, Sattler M (2014)
Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nature structural & molecular biology, Issue 8, Vol. 21, 671-8
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Site-specific analysis of heteronuclear Overhauser effects in microcrystalline proteins.
Journal of biomolecular NMR, Issue 4, Vol. 59, 241-9
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A new ELISA for the quantification of equine procalcitonin in plasma as potential inflammation biomarker in horses.
Analytical and bioanalytical chemistry, Issue 22, Vol. 406, 5507-12
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NMR approaches for structural analysis of multidomain proteins and complexes in solution.
Progress in nuclear magnetic resonance spectroscopy, Vol. 80, 26-63
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Ammon T, Mishra SK, Kowalska K, Popowicz GM, Holak TA, Jentsch S (2014)
The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
Journal of molecular cell biology, Issue 4, Vol. 6, 312-23
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The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins.
Proceedings of the National Academy of Sciences of the United States of America, Issue 22, Vol. 111, 8155-60
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Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN method.
Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 31-41
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The QSPR-THESAURUS: the online platform of the CADASTER project.
Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 13-24
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Experimental and theoretical studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO).
Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 7-11
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Transient electrostatic interactions dominate the conformational equilibrium sampled by multidomain splicing factor U2AF65: a combined NMR and SAXS study.
Journal of the American Chemical Society, Issue 19, Vol. 136, 7068-76
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Total internal reflection (TIRF)-based quantification of procalcitonin for sepsis diagnosis--a point-of-care testing application.
Biosensors & bioelectronics, Vol. 59, 251-8
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Kireeva NV, Ovchinnikova SI, Tetko IV, Asiri AM, Balakin KV, Tsivadze AY (2014)
Nonlinear dimensionality reduction for visualizing toxicity data: distance-based versus topology-based approaches.
ChemMedChem, Issue 5, Vol. 9, 1047-59
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Staphylococcal SplB serine protease utilizes a novel molecular mechanism of activation.
The Journal of biological chemistry, Issue 22, Vol. 289, 15544-53
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Robustness in experimental design: A study on the reliability of selection approaches.
Computational and structural biotechnology journal, Vol. 7, e201305002
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Sushko I, Novotarskyi S, Körner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Müller KR, Xi L, Liu H, Yao X, Öberg T, Hormozdiari F, Dao P, Sahinalp C, Todeschini R, Polishchuk P, Artemenko A, Kuz'min V, Martin TM, Young DM, Fourches D, Muratov E, Tropsha A, Baskin I, Horvath D, Marcou G, Muller C, Varnek A, Prokopenko VV, Tetko IV (2010)
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
Journal of chemical information and modeling, Issue 12, Vol. 50, 2094-111
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Güttler T, Madl T, Neumann P, Deichsel D, Corsini L, Monecke T, Ficner R, Sattler M, Görlich D (2010)
NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nature structural & molecular biology, Issue 11, Vol. 17, 1367-76
DOI: 10.1038/nsmb.1931, PubMed: 20972448 |
Tripsianes K, Sattler M (2010)
Repeat recognition.
Structure (London, England : 1993), Issue 10, Vol. 18, 1228-9
DOI: 10.1016/j.str.2010.09.006, PubMed: 20947010 |
Asami S, Schmieder P, Reif B (2010)
High resolution 1H-detected solid-state NMR spectroscopy of protein aliphatic resonances: access to tertiary structure information.
Journal of the American Chemical Society, Issue 43, Vol. 132, 15133-5
DOI: 10.1021/ja106170h, PubMed: 20939587 |
Manikandan K, Geerlof A, Zozulya AV, Svergun DI, Weiss MS (2011)
Structural studies on the enzyme complex isopropylmalate isomerase (LeuCD) from Mycobacterium tuberculosis.
Proteins, Issue 1, Vol. 79, 35-49
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Bhushan S, Meyer H, Starosta AL, Becker T, Mielke T, Berninghausen O, Sattler M, Wilson DN, Beckmann R (2010)
Structural basis for translational stalling by human cytomegalovirus and fungal arginine attenuator peptide.
Molecular cell, Issue 1, Vol. 40, 138-46
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Friberg A, Oddone A, Klymenko T, Müller J, Sattler M (2010)
Structure of an atypical Tudor domain in the Drosophila Polycomblike protein.
Protein science : a publication of the Protein Society, Issue 10, Vol. 19, 1906-16
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Meyer NH, Tripsianes K, Vincendeau M, Madl T, Kateb F, Brack-Werner R, Sattler M (2010)
Structural basis for homodimerization of the Src-associated during mitosis, 68-kDa protein (Sam68) Qua1 domain.
The Journal of biological chemistry, Issue 37, Vol. 285, 28893-901
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Czarna A, Beck B, Srivastava S, Popowicz GM, Wolf S, Huang Y, Bista M, Holak TA, Dömling A (2010)
Robust generation of lead compounds for protein-protein interactions by computational and MCR chemistry: p53/Hdm2 antagonists.
Angewandte Chemie (International ed. in English), Issue 31, Vol. 49, 5352-6
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Ducka AM, Joel P, Popowicz GM, Trybus KM, Schleicher M, Noegel AA, Huber R, Holak TA, Sitar T (2010)
Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proceedings of the National Academy of Sciences of the United States of America, Issue 26, Vol. 107, 11757-62
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Madl T, Felli IC, Bertini I, Sattler M (2010)
Structural analysis of protein interfaces from 13C direct-detected paramagnetic relaxation enhancements.
Journal of the American Chemical Society, Issue 21, Vol. 132, 7285-7
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Mourão A, Varrot A, Mackereth CD, Cusack S, Sattler M (2010)
Structure and RNA recognition by the snRNA and snoRNA transport factor PHAX.
RNA (New York, N.Y.), Issue 6, Vol. 16, 1205-16
DOI: 10.1261/rna.2009910, PubMed: 20430857 |
Popowicz GM, Czarna A, Wolf S, Wang K, Wang W, Dömling A, Holak TA (2010)
Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery.
Cell cycle (Georgetown, Tex.), Issue 6, Vol. 9, 1104-11
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Simon B, Madl T, Mackereth CD, Nilges M, Sattler M (2010)
An efficient protocol for NMR-spectroscopy-based structure determination of protein complexes in solution.
Angewandte Chemie (International ed. in English), Issue 11, Vol. 49, 1967-70
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Poulsen C, Holton S, Geerlof A, Wilmanns M, Song YH (2010)
Stoichiometric protein complex formation and over-expression using the prokaryotic native operon structure.
FEBS letters, Issue 4, Vol. 584, 669-74
DOI: 10.1016/j.febslet.2009.12.057, PubMed: 20085764 |
Villa AE, Tetko IV (2010)
Cross-frequency coupling in mesiotemporal EEG recordings of epileptic patients.
Journal of physiology, Paris, Issue 3-4, Vol. 104, 197-202
DOI: 10.1016/j.jphysparis.2009.11.024, PubMed: 19944158 |
Tetko IV, Poda GI, Ostermann C, Mannhold R (2009)
Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound.
Chemistry & biodiversity, Issue 11, Vol. 6, 1837-44
DOI: 10.1002/cbdv.200900075, PubMed: 19937825 |
Lopez JJ, Kaiser C, Asami S, Glaubitz C (2009)
Higher sensitivity through selective (13)C excitation in solid-state NMR spectroscopy.
Journal of the American Chemical Society, Issue 44, Vol. 131, 15970-1
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Szwagierczak A, Antonenka U, Popowicz GM, Sitar T, Holak TA, Rakin A (2009)
Structures of the arm-type binding domains of HPI and HAI7 integrases.
The Journal of biological chemistry, Issue 46, Vol. 284, 31664-71
DOI: 10.1074/jbc.M109.059261, PubMed: 19737930 |
Rumpf J, Simon B, Groemping Y, Sattler M (2008)
1H, 13C, and 15N chemical shift assignments for the Eps15-EH2-stonin 2 complex.
Biomolecular NMR assignments, Issue 1, Vol. 2, 55-8
DOI: 10.1007/s12104-008-9083-y, PubMed: 19636924 |
Corsini L, Sattler M (2008)
Backbone assignment of the UHM domain of Puf60 free and bound to five ligands.
Biomolecular NMR assignments, Issue 2, Vol. 2, 211-4
DOI: 10.1007/s12104-008-9123-7, PubMed: 19636907 |
Clerici M, Mourão A, Gutsche I, Gehring NH, Hentze MW, Kulozik A, Kadlec J, Sattler M, Cusack S (2009)
Unusual bipartite mode of interaction between the nonsense-mediated decay factors, UPF1 and UPF2.
The EMBO journal, Issue 15, Vol. 28, 2293-306
DOI: 10.1038/emboj.2009.175, PubMed: 19556969 |
Madl T, Sattler M (2009)
Adhesion dance with raver.
Structure (London, England : 1993), Issue 6, Vol. 17, 781-3
DOI: 10.1016/j.str.2009.05.004, PubMed: 19523894 |
Jesenská A, Monincová M, Koudeláková T, Hasan K, Chaloupková R, Prokop Z, Geerlof A, Damborsky J (2009)
Biochemical characterization of haloalkane dehalogenases DrbA and DmbC, Representatives of a Novel Subfamily.
Applied and environmental microbiology, Issue 15, Vol. 75, 5157-60
DOI: 10.1128/AEM.00199-09, PubMed: 19502442 |
Czarna A, Popowicz GM, Pecak A, Wolf S, Dubin G, Holak TA (2009)
High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx.
Cell cycle (Georgetown, Tex.), Issue 8, Vol. 8, 1176-84
DOI: 10.4161/cc.8.8.8185, PubMed: 19305137 |
Friberg A, Corsini L, Mourão A, Sattler M (2009)
Structure and ligand binding of the extended Tudor domain of D. melanogaster Tudor-SN.
Journal of molecular biology, Issue 4, Vol. 387, 921-34
DOI: 10.1016/j.jmb.2009.02.018, PubMed: 19232356 |
Neufeld C, Filipp FV, Simon B, Neuhaus A, Schüller N, David C, Kooshapur H, Madl T, Erdmann R, Schliebs W, Wilmanns M, Sattler M (2009)
Structural basis for competitive interactions of Pex14 with the import receptors Pex5 and Pex19.
The EMBO journal, Issue 6, Vol. 28, 745-54
DOI: 10.1038/emboj.2009.7, PubMed: 19197237 |
Karuppasamy M, Geerlof A, Schuldt L, Mueller-Dieckmann C, Weiss MS (2009)
Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of the small subunit of isopropylmalate isomerase (Rv2987c) from Mycobacterium tuberculosis.
Acta crystallographica. Section F, Structural biology and crystallization communications, Issue Pt 2, Vol. 65, 136-9
DOI: 10.1107/S1744309108042516, PubMed: 19194004 |
Stec-Niemczyk J, Pustelny K, Kisielewska M, Bista M, Boulware KT, Stennicke HR, Thogersen IB, Daugherty PS, Enghild JJ, Baczynski K, Popowicz GM, Dubin A, Potempa J, Dubin G (2009)
Structural and functional characterization of SplA, an exclusively specific protease of Staphylococcus aureus.
The Biochemical journal, Issue 3, Vol. 419, 555-64
DOI: 10.1042/BJ20081351, PubMed: 19175361 |
Varnek A, Gaudin C, Marcou G, Baskin I, Pandey AK, Tetko IV (2009)
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients.
Journal of chemical information and modeling, Issue 1, Vol. 49, 133-44
DOI: 10.1021/ci8002914, PubMed: 19125628 |
Zuckerman V, Lenos K, Popowicz GM, Silberman I, Grossman T, Marine JC, Holak TA, Jochemsen AG, Haupt Y (2009)
c-Abl phosphorylates Hdmx and regulates its interaction with p53.
The Journal of biological chemistry, Issue 6, Vol. 284, 4031-9
DOI: 10.1074/jbc.M809211200, PubMed: 19075013 |
Tetko IV (2008)
Associative neural network.
Methods in molecular biology (Clifton, N.J.), Vol. 458, 185-202
DOI: 10.1007/978-1-60327-101-1_10, PubMed: 19065811 |
Duszczyk MM, Zanier K, Sattler M (2008)
A NMR strategy to unambiguously distinguish nucleic acid hairpin and duplex conformations applied to a Xist RNA A-repeat.
Nucleic acids research, Issue 22, Vol. 36, 7068-77
DOI: 10.1093/nar/gkn776, PubMed: 18987004 |
Bogomolovas J, Simon B, Sattler M, Stier G (2009)
Screening of fusion partners for high yield expression and purification of bioactive viscotoxins.
Protein expression and purification, Issue 1, Vol. 64, 16-23
DOI: 10.1016/j.pep.2008.10.003, PubMed: 18983922 |
Corsini L, Hothorn M, Stier G, Rybin V, Scheffzek K, Gibson TJ, Sattler M (2009)
Dimerization and protein binding specificity of the U2AF homology motif of the splicing factor Puf60.
The Journal of biological chemistry, Issue 1, Vol. 284, 630-9
DOI: 10.1074/jbc.M805395200, PubMed: 18974054 |
Radzimanowski J, Simon B, Sattler M, Beyreuther K, Sinning I, Wild K (2008)
Structure of the intracellular domain of the amyloid precursor protein in complex with Fe65-PTB2.
EMBO reports, Issue 11, Vol. 9, 1134-40
DOI: 10.1038/embor.2008.188, PubMed: 18833287 |
Corsini L, Hothorn M, Scheffzek K, Sattler M, Stier G (2008)
Thioredoxin as a fusion tag for carrier-driven crystallization.
Protein science : a publication of the Protein Society, Issue 12, Vol. 17, 2070-9
DOI: 10.1110/ps.037564.108, PubMed: 18780816 |
Elstner M, Andreoli C, Ahting U, Tetko I, Klopstock T, Meitinger T, Prokisch H (2008)
MitoP2: an integrative tool for the analysis of the mitochondrial proteome.
Molecular biotechnology, Issue 3, Vol. 40, 306-15
DOI: 10.1007/s12033-008-9100-5, PubMed: 18780189 |
Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A (2008)
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.
Journal of chemical information and modeling, Issue 9, Vol. 48, 1733-46
DOI: 10.1021/ci800151m, PubMed: 18729318 |
Surmeli D, Ratmann O, Mewes HW, Tetko IV (2008)
FunCat functional inference with belief propagation and feature integration.
Computational biology and chemistry, Issue 5, Vol. 32, 375-7
DOI: 10.1016/j.compbiolchem.2008.06.004, PubMed: 18684672 |
Mannhold R, Poda GI, Ostermann C, Tetko IV (2009)
Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds.
Journal of pharmaceutical sciences, Issue 3, Vol. 98, 861-93
DOI: 10.1002/jps.21494, PubMed: 18683876 |
Rothweiler U, Czarna A, Weber L, Popowicz GM, Brongel K, Kowalska K, Orth M, Stemmann O, Holak TA (2008)
NMR screening for lead compounds using tryptophan-mutated proteins.
Journal of medicinal chemistry, Issue 16, Vol. 51, 5035-42
DOI: 10.1021/jm8002813, PubMed: 18680271 |
Popowicz GM, Czarna A, Holak TA (2008)
Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain.
Cell cycle (Georgetown, Tex.), Issue 15, Vol. 7, 2441-3
DOI: 10.4161/cc.6365, PubMed: 18677113 |
Smuda C, Busch S, Gemmecker G, Unruh T (2008)
Self-diffusion in molecular liquids: medium-chain n-alkanes and coenzyme Q10 studied by quasielastic neutron scattering.
The Journal of chemical physics, Issue 1, Vol. 129, 014513
DOI: 10.1063/1.2943673, PubMed: 18624489 |
Nettleship JE, Brown J, Groves MR, Geerlof A (2008)
Methods for protein characterization by mass spectrometry, thermal shift (ThermoFluor) assay, and multiangle or static light scattering.
Methods in molecular biology (Clifton, N.J.), Vol. 426, 299-318
DOI: 10.1007/978-1-60327-058-8_19, PubMed: 18542872 |
Smuda C, Gemmecker G, Unruh T (2008)
Quasielastic and inelastic neutron scattering study of methyl group rotation in solid and liquid pentafluoroanisole and pentafluorotoluene.
The Journal of chemical physics, Issue 19, Vol. 128, 194502
DOI: 10.1063/1.2894847, PubMed: 18500875 |
Dubin G, Stec-Niemczyk J, Kisielewska M, Pustelny K, Popowicz GM, Bista M, Kantyka T, Boulware KT, Stennicke HR, Czarna A, Phopaisarn M, Daugherty PS, Thøgersen IB, Enghild JJ, Thornberry N, Dubin A, Potempa J (2008)
Enzymatic activity of the Staphylococcus aureus SplB serine protease is induced by substrates containing the sequence Trp-Glu-Leu-Gln.
Journal of molecular biology, Issue 2, Vol. 379, 343-56
DOI: 10.1016/j.jmb.2008.03.059, PubMed: 18448121 |
Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV (2008)
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
Journal of chemical information and modeling, Issue 4, Vol. 48, 766-84
DOI: 10.1021/ci700443v, PubMed: 18311912 |
Tetko IV, Jaroszewicz I, Platts JA, Kuduk-Jaworska J (2008)
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods.
Journal of inorganic biochemistry, Issue 7, Vol. 102, 1424-37
DOI: 10.1016/j.jinorgbio.2007.12.029, PubMed: 18289687 |
Spadaccini R, Perrin H, Bottomley MJ, Ansieau S, Sattler M (2008)
Retraction notice to "Structure and functional analysis of the MYND domain" [J. Mol. Biol. (2006) 358, 498-508].
Journal of molecular biology, Issue 5, Vol. 376, 1523
PubMed: 18286714 |
Rumpf J, Simon B, Jung N, Maritzen T, Haucke V, Sattler M, Groemping Y (2008)
Structure of the Eps15-stonin2 complex provides a molecular explanation for EH-domain ligand specificity.
The EMBO journal, Issue 3, Vol. 27, 558-69
DOI: 10.1038/sj.emboj.7601980, PubMed: 18200045 |
Tetko IV, Rodchenkov IV, Walter MC, Rattei T, Mewes HW (2008)
Beyond the 'best' match: machine learning annotation of protein sequences by integration of different sources of information.
Bioinformatics (Oxford, England), Issue 5, Vol. 24, 621-8
DOI: 10.1093/bioinformatics/btm633, PubMed: 18174184 |
Black SL, Stanley WA, Filipp FV, Bhairo M, Verma A, Wichmann O, Sattler M, Wilmanns M, Schultz C (2008)
Probing lipid- and drug-binding domains with fluorescent dyes.
Bioorganic & medicinal chemistry, Issue 3, Vol. 16, 1162-73
DOI: 10.1016/j.bmc.2007.10.080, PubMed: 18024138 |
Popowicz GM, Czarna A, Rothweiler U, Szwagierczak A, Krajewski M, Weber L, Holak TA (2007)
Molecular basis for the inhibition of p53 by Mdmx.
Cell cycle (Georgetown, Tex.), Issue 19, Vol. 6, 2386-92
DOI: 10.4161/cc.6.19.4740, PubMed: 17938582 |
Ruggiero A, Tizzano B, Geerlof A, Pedone E, Pedone C, Wilmanns M, Berisio R (2007)
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a resuscitation-promoting factor from Mycobacterium tuberculosis.
Acta crystallographica. Section F, Structural biology and crystallization communications, Issue Pt 10, Vol. 63, 870-3
DOI: 10.1107/S1744309107043217, PubMed: 17909292 |
Cuomo CA, Güldener U, Xu JR, Trail F, Turgeon BG, Di Pietro A, Walton JD, Ma LJ, Baker SE, Rep M, Adam G, Antoniw J, Baldwin T, Calvo S, Chang YL, Decaprio D, Gale LR, Gnerre S, Goswami RS, Hammond-Kosack K, Harris LJ, Hilburn K, Kennell JC, Kroken S, Magnuson JK, Mannhaupt G, Mauceli E, Mewes HW, Mitterbauer R, Muehlbauer G, Münsterkötter M, Nelson D, O'donnell K, Ouellet T, Qi W, Quesneville H, Roncero MI, Seong KY, Tetko IV, Urban M, Waalwijk C, Ward TJ, Yao J, Birren BW, Kistler HC (2007)
The Fusarium graminearum genome reveals a link between localized polymorphism and pathogen specialization.
Science (New York, N.Y.), Issue 5843, Vol. 317, 1400-2
DOI: 10.1126/science.1143708, PubMed: 17823352 |
Corsini L, Bonnal S, Bonna S, Basquin J, Hothorn M, Scheffzek K, Valcárcel J, Sattler M (2007)
U2AF-homology motif interactions are required for alternative splicing regulation by SPF45.
Nature structural & molecular biology, Issue 7, Vol. 14, 620-9
DOI: 10.1038/nsmb1260, PubMed: 17589525 |
Singh M, Popowicz GM, Krajewski M, Holak TA (2007)
Structural ramification for acetyl-lysine recognition by the bromodomain of human BRG1 protein, a central ATPase of the SWI/SNF remodeling complex.
Chembiochem : a European journal of chemical biology, Issue 11, Vol. 8, 1308-16
DOI: 10.1002/cbic.200600562, PubMed: 17582821 |
Filipp FV, Sattler M (2007)
Conformational plasticity of the lipid transfer protein SCP2.
Biochemistry, Issue 27, Vol. 46, 7980-91
DOI: 10.1021/bi6025616, PubMed: 17566986 |
Kovalishyn VV, Kholodovych V, Tetko IV, Welsh WJ (2007)
Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens.
Journal of molecular graphics & modelling, Issue 2, Vol. 26, 591-4
DOI: 10.1016/j.jmgm.2007.03.005, PubMed: 17433745 |
Brumbaugh J, Schleifenbaum A, Stier G, Sattler M, Schultz C (2006)
Single- and dual-parameter FRET kinase probes based on pleckstrin.
Nature protocols, Issue 2, Vol. 1, 1044-55
DOI: 10.1038/nprot.2006.177, PubMed: 17406341 |
Varnek A, Kireeva N, Tetko IV, Baskin II, Solov'ev VP (2007)
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
Journal of chemical information and modeling, Issue 3, Vol. 47, 1111-22
DOI: 10.1021/ci600493x, PubMed: 17381081 |
Mueller-Dieckmann C, Panjikar S, Schmidt A, Mueller S, Kuper J, Geerlof A, Wilmanns M, Singh RK, Tucker PA, Weiss MS (2007)
On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta crystallographica. Section D, Biological crystallography, Issue Pt 3, Vol. 63, 366-80
DOI: 10.1107/S0907444906055624, PubMed: 17327674 |
Corsini L, Sattler M (2007)
Tudor hooks up with DNA repair.
Nature structural & molecular biology, Issue 2, Vol. 14, 98-9
DOI: 10.1038/nsmb0207-98, PubMed: 17277801 |
Farré-Castany MA, Schwaller B, Gregory P, Barski J, Mariethoz C, Eriksson JL, Tetko IV, Wolfer D, Celio MR, Schmutz I, Albrecht U, Villa AE (2007)
Differences in locomotor behavior revealed in mice deficient for the calcium-binding proteins parvalbumin, calbindin D-28k or both.
Behavioural brain research, Issue 2, Vol. 178, 250-61
DOI: 10.1016/j.bbr.2007.01.002, PubMed: 17275105 |
Emmersen J, Rudd S, Mewes HW, Tetko IV (2007)
Separation of sequences from host-pathogen interface using triplet nucleotide frequencies.
Fungal genetics and biology : FG & B, Issue 4, Vol. 44, 231-41
DOI: 10.1016/j.fgb.2006.11.010, PubMed: 17218127 |
Verdoodt B, Benzinger A, Popowicz GM, Holak TA, Hermeking H (2006)
Characterization of 14-3-3sigma dimerization determinants: requirement of homodimerization for inhibition of cell proliferation.
Cell cycle (Georgetown, Tex.), Issue 24, Vol. 5, 2920-6
DOI: 10.4161/cc.5.24.3571, PubMed: 17172876 |
Oddone A, Lorentzen E, Basquin J, Gasch A, Rybin V, Conti E, Sattler M (2007)
Structural and biochemical characterization of the yeast exosome component Rrp40.
EMBO reports, Issue 1, Vol. 8, 63-9
DOI: 10.1038/sj.embor.7400856, PubMed: 17159918 |
Stanley WA, Filipp FV, Kursula P, Schüller N, Erdmann R, Schliebs W, Sattler M, Wilmanns M (2006)
Recognition of a functional peroxisome type 1 target by the dynamic import receptor pex5p.
Molecular cell, Issue 5, Vol. 24, 653-63
DOI: 10.1016/j.molcel.2006.10.024, PubMed: 17157249 |
Geerlof A, Brown J, Coutard B, Egloff MP, Enguita FJ, Fogg MJ, Gilbert RJ, Groves MR, Haouz A, Nettleship JE, Nordlund P, Owens RJ, Ruff M, Sainsbury S, Svergun DI, Wilmanns M (2006)
The impact of protein characterization in structural proteomics.
Acta crystallographica. Section D, Biological crystallography, Issue Pt 10, Vol. 62, 1125-36
DOI: 10.1107/S0907444906030307, PubMed: 17001090 |
Sitar T, Popowicz GM, Siwanowicz I, Huber R, Holak TA (2006)
Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proceedings of the National Academy of Sciences of the United States of America, Issue 35, Vol. 103, 13028-33
DOI: 10.1073/pnas.0605652103, PubMed: 16924115 |
Messias AC, Harnisch C, Ostareck-Lederer A, Sattler M, Ostareck DH (2006)
The DICE-binding activity of KH domain 3 of hnRNP K is affected by c-Src-mediated tyrosine phosphorylation.
Journal of molecular biology, Issue 3, Vol. 361, 470-81
DOI: 10.1016/j.jmb.2006.06.025, PubMed: 16854432 |
Tetko IV, Bruneau P, Mewes HW, Rohrer DC, Poda GI (2006)
Can we estimate the accuracy of ADME-Tox predictions?
Drug discovery today, Issue 15-16, Vol. 11, 700-7
DOI: 10.1016/j.drudis.2006.06.013, PubMed: 16846797 |
Soares LM, Zanier K, Mackereth C, Sattler M, Valcárcel J (2006)
Intron removal requires proofreading of U2AF/3' splice site recognition by DEK.
Science (New York, N.Y.), Issue 5782, Vol. 312, 1961-5
DOI: 10.1126/science.1128659, PubMed: 16809543 |
Popowicz GM, Schleicher M, Noegel AA, Holak TA (2006)
Filamins: promiscuous organizers of the cytoskeleton.
Trends in biochemical sciences, Issue 7, Vol. 31, 411-9
DOI: 10.1016/j.tibs.2006.05.006, PubMed: 16781869 |
Lescrinier E, Nauwelaerts K, Zanier K, Poesen K, Sattler M, Herdewijn P (2006)
The naturally occurring N6-threonyl adenine in anticodon loop of Schizosaccharomyces pombe tRNAi causes formation of a unique U-turn motif.
Nucleic acids research, Issue 10, Vol. 34, 2878-86
DOI: 10.1093/nar/gkl081, PubMed: 16738127 |
Ma Q, Zhao X, Nasser Eddine A, Geerlof A, Li X, Cronan JE, Kaufmann SH, Wilmanns M (2006)
The Mycobacterium tuberculosis LipB enzyme functions as a cysteine/lysine dyad acyltransferase.
Proceedings of the National Academy of Sciences of the United States of America, Issue 23, Vol. 103, 8662-7
DOI: 10.1073/pnas.0510436103, PubMed: 16735476 |
Kang CB, Ye H, Vivekanandan S, Simon B, Sattler M, Yoon HS (2006)
Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD).
Journal of biomolecular NMR, Vol. 36 Suppl 1, 37
DOI: 10.1007/s10858-006-9001-5, PubMed: 16718587 |
Mikolajka A, Yan X, Popowicz GM, Smialowski P, Nigg EA, Holak TA (2006)
Structure of the N-terminal domain of the FOP (FGFR1OP) protein and implications for its dimerization and centrosomal localization.
Journal of molecular biology, Issue 4, Vol. 359, 863-75
DOI: 10.1016/j.jmb.2006.03.070, PubMed: 16690081 |
Edlich C, Simon B, Sattler M, Muhle-Goll C (2006)
New NMR assignment 1H, 13C, and 15N assignment of the second PH domain of human pleckstrin (234-350).
Journal of biomolecular NMR, Vol. 36 Suppl 1, 21
DOI: 10.1007/s10858-005-6053-x, PubMed: 16642402 |
Tetko IV, Haberer G, Rudd S, Meyers B, Mewes HW, Mayer KF (2006)
Spatiotemporal expression control correlates with intragenic scaffold matrix attachment regions (S/MARs) in Arabidopsis thaliana.
PLoS computational biology, Issue 3, Vol. 2, e21
DOI: 10.1371/journal.pcbi.0020021, PubMed: 16604187 |
Pimienta G, Gabel F, Zanier K, Conti E, Sattler M (2006)
Chemical shift backbone assignments of TAP-N, the 31 kDa cargo-binding region of the protein TAP.
Journal of biomolecular NMR, Vol. 36 Suppl 1, 23
DOI: 10.1007/s10858-006-0002-1, PubMed: 16596343 |
Tetko IV, Solov'ev VP, Antonov AV, Yao X, Doucet JP, Fan B, Hoonakker F, Fourches D, Jost P, Lachiche N, Varnek A (2006)
Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores.
Journal of chemical information and modeling, Issue 2, Vol. 46, 808-19
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Spadaccini R, Perrin H, Bottomley MJ, Ansieau S, Sattler M (2006)
Structure and functional analysis of the MYND domain.
Journal of molecular biology, Issue 2, Vol. 358, 498-508
DOI: 10.1016/j.jmb.2006.01.087, PubMed: 16527309 |
Mapelli M, Filipp FV, Rancati G, Massimiliano L, Nezi L, Stier G, Hagan RS, Confalonieri S, Piatti S, Sattler M, Musacchio A (2006)
Determinants of conformational dimerization of Mad2 and its inhibition by p31comet.
The EMBO journal, Issue 6, Vol. 25, 1273-84
DOI: 10.1038/sj.emboj.7601033, PubMed: 16525508 |
Popowicz GM, Dubin G, Stec-Niemczyk J, Czarny A, Dubin A, Potempa J, Holak TA (2006)
Functional and structural characterization of Spl proteases from Staphylococcus aureus.
Journal of molecular biology, Issue 1, Vol. 358, 270-9
DOI: 10.1016/j.jmb.2006.01.098, PubMed: 16516230 |
Spadaccini R, Reidt U, Dybkov O, Will C, Frank R, Stier G, Corsini L, Wahl MC, Lührmann R, Sattler M (2006)
Biochemical and NMR analyses of an SF3b155-p14-U2AF-RNA interaction network involved in branch point definition during pre-mRNA splicing.
RNA (New York, N.Y.), Issue 3, Vol. 12, 410-25
DOI: 10.1261/rna.2271406, PubMed: 16495236 |
Balakin KV, Savchuk NP, Tetko IV (2006)
In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions.
Current medicinal chemistry, Issue 2, Vol. 13, 223-41
DOI: 10.2174/092986706775197917, PubMed: 16472214 |
Gabel F, Simon B, Sattler M (2006)
A target function for quaternary structural refinement from small angle scattering and NMR orientational restraints.
European biophysics journal : EBJ, Issue 4, Vol. 35, 313-27
DOI: 10.1007/s00249-005-0037-3, PubMed: 16416140 |
Antonov AV, Tetko IV, Mewes HW (2006)
A systematic approach to infer biological relevance and biases of gene network structures.
Nucleic acids research, Issue 1, Vol. 34, e6
DOI: 10.1093/nar/gnj002, PubMed: 16407322 |
Brumbaugh J, Schleifenbaum A, Gasch A, Sattler M, Schultz C (2006)
A dual parameter FRET probe for measuring PKC and PKA activity in living cells.
Journal of the American Chemical Society, Issue 1, Vol. 128, 24-5
DOI: 10.1021/ja0562200, PubMed: 16390103 |
Ruepp A, Doudieu ON, van den Oever J, Brauner B, Dunger-Kaltenbach I, Fobo G, Frishman G, Montrone C, Skornia C, Wanka S, Rattei T, Pagel P, Riley L, Frishman D, Surmeli D, Tetko IV, Oesterheld M, Stümpflen V, Mewes HW (2006)
The Mouse Functional Genome Database (MfunGD): functional annotation of proteins in the light of their cellular context.
Nucleic acids research, Issue Database issue, Vol. 34, D568-71
DOI: 10.1093/nar/gkj074, PubMed: 16381934 |
Vojnic E, Simon B, Strahl BD, Sattler M, Cramer P (2006)
Structure and carboxyl-terminal domain (CTD) binding of the Set2 SRI domain that couples histone H3 Lys36 methylation to transcription.
The Journal of biological chemistry, Issue 1, Vol. 281, 13-5
DOI: 10.1074/jbc.C500423200, PubMed: 16286474 |
Geerlof A, Travers F, Barman T, Lionne C (2005)
Perturbation of yeast 3-phosphoglycerate kinase reaction mixtures with ADP: transient kinetics of formation of ATP from bound 1,3-bisphosphoglycerate.
Biochemistry, Issue 45, Vol. 44, 14948-55
DOI: 10.1021/bi0512290, PubMed: 16274241 |
Lingel A, Simon B, Izaurralde E, Sattler M (2005)
The structure of the flock house virus B2 protein, a viral suppressor of RNA interference, shows a novel mode of double-stranded RNA recognition.
EMBO reports, Issue 12, Vol. 6, 1149-55
DOI: 10.1038/sj.embor.7400583, PubMed: 16270100 |
Tetko IV, Abagyan R, Oprea TI (2005)
Surrogate data--a secure way to share corporate data.
Journal of computer-aided molecular design, Issue 9-10, Vol. 19, 749-64
DOI: 10.1007/s10822-005-9013-3, PubMed: 16267691 |
Tetko IV (2005)
Computing chemistry on the web.
Drug discovery today, Issue 22, Vol. 10, 1497-500
DOI: 10.1016/S1359-6446(05)03584-1, PubMed: 16257371 |
Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P, Palyulin VA, Radchenko EV, Zefirov NS, Makarenko AS, Tanchuk VY, Prokopenko VV (2005)
Virtual computational chemistry laboratory--design and description.
Journal of computer-aided molecular design, Issue 6, Vol. 19, 453-63
DOI: 10.1007/s10822-005-8694-y, PubMed: 16231203 |
Wiesner S, Hantschel O, Mackereth CD, Superti-Furga G, Sattler M (2005)
NMR Assignment Reveals an alpha-Helical Fold for the F-Actin Binding Domain of Human Bcr-Abl/c-Abl.
Journal of biomolecular NMR, Issue 4, Vol. 32, 335
DOI: 10.1007/s10858-005-8868-x, PubMed: 16211486 |
Arolas JL, Popowicz GM, Bronsoms S, Aviles FX, Huber R, Holak TA, Ventura S (2005)
Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond.
Journal of molecular biology, Issue 4, Vol. 352, 961-75
DOI: 10.1016/j.jmb.2005.07.065, PubMed: 16126224 |
Hantschel O, Wiesner S, Güttler T, Mackereth CD, Rix LL, Mikes Z, Dehne J, Görlich D, Sattler M, Superti-Furga G (2005)
Structural basis for the cytoskeletal association of Bcr-Abl/c-Abl.
Molecular cell, Issue 4, Vol. 19, 461-73
DOI: 10.1016/j.molcel.2005.06.030, PubMed: 16109371 |
Arolas JL, D'Silva L, Popowicz GM, Aviles FX, Holak TA, Ventura S (2005)
NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor.
Structure (London, England : 1993), Issue 8, Vol. 13, 1193-202
DOI: 10.1016/j.str.2005.05.008, PubMed: 16084391 |
Mackereth CD, Simon B, Sattler M (2005)
Extending the size of protein-RNA complexes studied by nuclear magnetic resonance spectroscopy.
Chembiochem : a European journal of chemical biology, Issue 9, Vol. 6, 1578-84
DOI: 10.1002/cbic.200500106, PubMed: 16075426 |
Antonov AV, Tetko IV, Kosykh D, Surmeli D, Mewes HW (2005)
Exploiting scale-free information from expression data for cancer classification.
Computational biology and chemistry, Issue 4, Vol. 29, 288-93
DOI: 10.1016/j.compbiolchem.2005.06.004, PubMed: 16039906 |
Backe PH, Messias AC, Ravelli RB, Sattler M, Cusack S (2005)
X-ray crystallographic and NMR studies of the third KH domain of hnRNP K in complex with single-stranded nucleic acids.
Structure (London, England : 1993), Issue 7, Vol. 13, 1055-67
DOI: 10.1016/j.str.2005.04.008, PubMed: 16004877 |
Rudd S, Tetko IV (2005)
Eclair--a web service for unravelling species origin of sequences sampled from mixed host interfaces.
Nucleic acids research, Issue Web Server issue, Vol. 33, W724-7
DOI: 10.1093/nar/gki434, PubMed: 15980572 |
Arolas JL, Popowicz GM, Lorenzo J, Sommerhoff CP, Huber R, Aviles FX, Holak TA (2005)
The three-dimensional structures of tick carboxypeptidase inhibitor in complex with A/B carboxypeptidases reveal a novel double-headed binding mode.
Journal of molecular biology, Issue 3, Vol. 350, 489-98
DOI: 10.1016/j.jmb.2005.05.015, PubMed: 15961103 |
Benzinger A, Popowicz GM, Joy JK, Majumdar S, Holak TA, Hermeking H (2005)
The crystal structure of the non-liganded 14-3-3sigma protein: insights into determinants of isoform specific ligand binding and dimerization.
Cell research, Issue 4, Vol. 15, 219-27
DOI: 10.1038/sj.cr.7290290, PubMed: 15857576 |
Markwick PR, Sprangers R, Sattler M (2005)
Local structure and anisotropic backbone dynamics from cross-correlated NMR relaxation in proteins.
Angewandte Chemie (International ed. in English), Issue 21, Vol. 44, 3232-7
DOI: 10.1002/anie.200462495, PubMed: 15844105 |
Tetko IV, Facius A, Ruepp A, Mewes HW (2005)
Super paramagnetic clustering of protein sequences.
BMC bioinformatics, Vol. 6, 82
DOI: 10.1186/1471-2105-6-82, PubMed: 15804359 |
Tetko IV, Brauner B, Dunger-Kaltenbach I, Frishman G, Montrone C, Fobo G, Ruepp A, Antonov AV, Surmeli D, Mewes HW (2005)
MIPS bacterial genomes functional annotation benchmark dataset.
Bioinformatics (Oxford, England), Issue 10, Vol. 21, 2520-1
DOI: 10.1093/bioinformatics/bti380, PubMed: 15769832 |
Deshmukh MV, Voll G, Kühlewein A, Mäcke H, Schmitt J, Kessler H, Gemmecker G (2005)
NMR studies reveal structural differences between the gallium and yttrium complexes of DOTA-D-Phe1-Tyr3-octreotide.
Journal of medicinal chemistry, Issue 5, Vol. 48, 1506-14
DOI: 10.1021/jm0496335, PubMed: 15743193 |
Lingel A, Sattler M (2005)
Novel modes of protein-RNA recognition in the RNAi pathway.
Current opinion in structural biology, Issue 1, Vol. 15, 107-15
DOI: 10.1016/j.sbi.2005.01.010, PubMed: 15718141 |
Edlich C, Stier G, Simon B, Sattler M, Muhle-Goll C (2005)
Structure and phosphatidylinositol-(3,4)-bisphosphate binding of the C-terminal PH domain of human pleckstrin.
Structure (London, England : 1993), Issue 2, Vol. 13, 277-86
DOI: 10.1016/j.str.2004.11.012, PubMed: 15698571 |
Wang Y, Tetko IV, Hall MA, Frank E, Facius A, Mayer KF, Mewes HW (2005)
Gene selection from microarray data for cancer classification--a machine learning approach.
Computational biology and chemistry, Issue 1, Vol. 29, 37-46
DOI: 10.1016/j.compbiolchem.2004.11.001, PubMed: 15680584 |
Bottomley MJ, Stier G, Pennacchini D, Legube G, Simon B, Akhtar A, Sattler M, Musco G (2005)
NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease.
The Journal of biological chemistry, Issue 12, Vol. 280, 11505-12
DOI: 10.1074/jbc.M413959200, PubMed: 15649886 |
Sattler MA, Mtasiwa D, Kiama M, Premji Z, Tanner M, Killeen GF, Lengeler C (2005)
Habitat characterization and spatial distribution of Anopheles sp. mosquito larvae in Dar es Salaam (Tanzania) during an extended dry period.
Malaria journal, Vol. 4, 4
DOI: 10.1186/1475-2875-4-4, PubMed: 15649333 |
Siwanowicz I, Popowicz GM, Wisniewska M, Huber R, Kuenkele KP, Lang K, Engh RA, Holak TA (2005)
Structural basis for the regulation of insulin-like growth factors by IGF binding proteins.
Structure (London, England : 1993), Issue 1, Vol. 13, 155-67
DOI: 10.1016/j.str.2004.11.009, PubMed: 15642270 |
Friedel CC, Jahn KH, Sommer S, Rudd S, Mewes HW, Tetko IV (2005)
Support vector machines for separation of mixed plant-pathogen EST collections based on codon usage.
Bioinformatics (Oxford, England), Issue 8, Vol. 21, 1383-8
DOI: 10.1093/bioinformatics/bti200, PubMed: 15585526 |
Civera C, Simon B, Stier G, Sattler M, Macias MJ (2005)
Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily.
Proteins, Issue 2, Vol. 58, 354-66
DOI: 10.1002/prot.20320, PubMed: 15573383 |
Tetko IV, Bruneau P (2004)
Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database.
Journal of pharmaceutical sciences, Issue 12, Vol. 93, 3103-10
DOI: 10.1002/jps.20217, PubMed: 15514985 |
Tetko IV, Poda GI (2004)
Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds.
Journal of medicinal chemistry, Issue 23, Vol. 47, 5601-4
DOI: 10.1021/jm049509l, PubMed: 15509156 |
Ruepp A, Zollner A, Maier D, Albermann K, Hani J, Mokrejs M, Tetko I, Güldener U, Mannhaupt G, Münsterkötter M, Mewes HW (2004)
The FunCat, a functional annotation scheme for systematic classification of proteins from whole genomes.
Nucleic acids research, Issue 18, Vol. 32, 5539-45
DOI: 10.1093/nar/gkh894, PubMed: 15486203 |
Potterat O, Wagner K, Gemmecker G, Mack J, Puder C, Vettermann R, Streicher R (2004)
BI-32169, a bicyclic 19-peptide with strong glucagon receptor antagonist activity from Streptomyces sp.
Journal of natural products, Issue 9, Vol. 67, 1528-31
DOI: 10.1021/np040093o, PubMed: 15387654 |
Schleifenbaum A, Stier G, Gasch A, Sattler M, Schultz C (2004)
Genetically encoded FRET probe for PKC activity based on pleckstrin.
Journal of the American Chemical Society, Issue 38, Vol. 126, 11786-7
DOI: 10.1021/ja0460155, PubMed: 15382901 |
Markwick PR, Sattler M (2004)
Site-specific variations of carbonyl chemical shift anisotropies in proteins.
Journal of the American Chemical Society, Issue 37, Vol. 126, 11424-5
DOI: 10.1021/ja047859r, PubMed: 15366873 |
Popowicz GM, Müller R, Noegel AA, Schleicher M, Huber R, Holak TA (2004)
Molecular structure of the rod domain of dictyostelium filamin.
Journal of molecular biology, Issue 5, Vol. 342, 1637-46
DOI: 10.1016/j.jmb.2004.08.017, PubMed: 15364587 |
Kühlewein A, Voll G, Hernandez Alvarez B, Kessler H, Fischer G, Rahfeld JU, Gemmecker G (2004)
Solution structure of Escherichia coli Par10: The prototypic member of the Parvulin family of peptidyl-prolyl cis/trans isomerases.
Protein science : a publication of the Protein Society, Issue 9, Vol. 13, 2378-87
DOI: 10.1110/ps.04756704, PubMed: 15322281 |
Féthière J, Venzke D, Diepholz M, Seybert A, Geerlof A, Gentzel M, Wilm M, Böttcher B (2004)
Building the stator of the yeast vacuolar-ATPase: specific interaction between subunits E and G.
The Journal of biological chemistry, Issue 39, Vol. 279, 40670-6
DOI: 10.1074/jbc.M407086200, PubMed: 15292229 |
Peng C, Unger SW, Filipp FV, Sattler M, Szalma S (2004)
Automated evaluation of chemical shift perturbation spectra: New approaches to quantitative analysis of receptor-ligand interaction NMR spectra.
Journal of biomolecular NMR, Issue 4, Vol. 29, 491-504
DOI: 10.1023/B:JNMR.0000034351.37982.9e, PubMed: 15243180 |
Antonov AV, Tetko IV, Prokopenko VV, Kosykh D, Mewes HW (2004)
A web portal for classification of expression data using maximal margin linear programming.
Bioinformatics (Oxford, England), Issue 17, Vol. 20, 3284-5
DOI: 10.1093/bioinformatics/bth376, PubMed: 15217811 |
Lingel A, Simon B, Izaurralde E, Sattler M (2004)
NMR assignment of the Drosophila Argonaute2 PAZ domain.
Journal of biomolecular NMR, Issue 3, Vol. 29, 421-2
DOI: 10.1023/B:JNMR.0000032513.15693.04, PubMed: 15213449 |
Lingel A, Simon B, Izaurralde E, Sattler M (2004)
Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain.
Nature structural & molecular biology, Issue 6, Vol. 11, 576-7
DOI: 10.1038/nsmb777, PubMed: 15156196 |
Messias AC, Sattler M (2004)
Structural basis of single-stranded RNA recognition.
Accounts of chemical research, Issue 5, Vol. 37, 279-87
DOI: 10.1021/ar030034m, PubMed: 15147168 |
Antonov AV, Tetko IV, Mader MT, Budczies J, Mewes HW (2004)
Optimization models for cancer classification: extracting gene interaction information from microarray expression data.
Bioinformatics (Oxford, England), Issue 5, Vol. 20, 644-52
DOI: 10.1093/bioinformatics/btg462, PubMed: 15033871 |
Mavoungou C, Israel L, Rehm T, Ksiazek D, Krajewski M, Popowicz G, Noegel AA, Schleicher M, Holak TA (2004)
NMR structural characterization of the N-terminal domain of the adenylyl cyclase-associated protein (CAP) from Dictyostelium discoideum.
Journal of biomolecular NMR, Issue 1, Vol. 29, 73-84
DOI: 10.1023/B:JNMR.0000019513.86120.98, PubMed: 15017141 |
Simon B, Sattler M (2004)
Speeding up biomolecular NMR spectroscopy.
Angewandte Chemie (International ed. in English), Issue 7, Vol. 43, 782-6
DOI: 10.1002/anie.200301680, PubMed: 14767949 |
Dubin G, Popowicz G, Krajewski M, Potempa J, Dubin A, Holak TA (2004)
1H, 15N and 13C NMR resonance assignments of staphostatin A, a specific Staphylococcus aureus cysteine proteinase inhibitor.
Journal of biomolecular NMR, Issue 3, Vol. 28, 295-6
DOI: 10.1023/B:JNMR.0000013681.37659.24, PubMed: 14752262 |
Amininasab M, Elmi MM, Endlich N, Endlich K, Parekh N, Naderi-Manesh H, Schaller J, Mostafavi H, Sattler M, Sarbolouki MN, Muhle-Goll C (2004)
Functional and structural characterization of a novel member of the natriuretic family of peptides from the venom of Pseudocerastes persicus.
FEBS letters, Issue 1-3, Vol. 557, 104-8
PubMed: 14741349 |
de Marco A, Casatta E, Savaresi S, Geerlof A (2004)
Recombinant proteins fused to thermostable partners can be purified by heat incubation.
Journal of biotechnology, Issue 2, Vol. 107, 125-33
DOI: 10.1016/j.jbiotec.2003.10.008, PubMed: 14711496 |
Dubin G, Krajewski M, Popowicz G, Stec-Niemczyk J, Bochtler M, Potempa J, Dubin A, Holak TA (2003)
A novel class of cysteine protease inhibitors: solution structure of staphostatin A from Staphylococcus aureus.
Biochemistry, Issue 46, Vol. 42, 13449-56
DOI: 10.1021/bi035310j, PubMed: 14621990 |
Lingel A, Simon B, Izaurralde E, Sattler M (2003)
Structure and nucleic-acid binding of the Drosophila Argonaute 2 PAZ domain.
Nature, Issue 6965, Vol. 426, 465-9
DOI: 10.1038/nature02123, PubMed: 14615801 |
Tetko IV (2003)
The WWW as a tool to obtain molecular parameters.
Mini reviews in medicinal chemistry, Issue 8, Vol. 3, 809-20
DOI: 10.2174/1389557033487638, PubMed: 14529500 |
Furrer J, Enthart A, Kühlewein A, Dehner A, Klein C, Hansen S, Schwaiger M, Kessler H, Gemmecker G (2003)
Backbone 1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein.
Journal of biomolecular NMR, Issue 4, Vol. 26, 377-8
DOI: 10.1023/a:1024044805720, PubMed: 12815266 |
Aksenova TI, Chibirova OK, Dryga OA, Tetko IV, Benabid AL, Villa AE (2003)
An unsupervised automatic method for sorting neuronal spike waveforms in awake and freely moving animals.
Methods (San Diego, Calif.), Issue 2, Vol. 30, 178-87
DOI: 10.1016/s1046-2023(03)00079-3, PubMed: 12725785 |
Selenko P, Gregorovic G, Sprangers R, Stier G, Rhani Z, Krämer A, Sattler M (2003)
Structural basis for the molecular recognition between human splicing factors U2AF65 and SF1/mBBP.
Molecular cell, Issue 4, Vol. 11, 965-76
PubMed: 12718882 |
Surdo PL, Bottomley MJ, Sattler M, Scheffzek K (2003)
Crystal structure and nuclear magnetic resonance analyses of the SAND domain from glucocorticoid modulatory element binding protein-1 reveals deoxyribonucleic acid and zinc binding regions.
Molecular endocrinology (Baltimore, Md.), Issue 7, Vol. 17, 1283-95
DOI: 10.1210/me.2002-0409, PubMed: 12702733 |
Villa AE, Tetko IV (1997)
Efficient Partition of Learning Data Sets for Neural Network Training.
Neural networks : the official journal of the International Neural Network Society, Issue 8, Vol. 10, 1361-1374
DOI: 10.1016/s0893-6080(97)00005-1, PubMed: 12662480 |
Bottomley MJ, Sattler M (2003)
1H, 13C and 15N backbone resonance assignments of the SAND domains from glucocorticoid modulatory element binding proteins-1 and -2.
Journal of biomolecular NMR, Issue 3, Vol. 25, 259-60
PubMed: 12652142 |
Sprangers R, Groves MR, Sinning I, Sattler M (2003)
High-resolution X-ray and NMR structures of the SMN Tudor domain: conformational variation in the binding site for symmetrically dimethylated arginine residues.
Journal of molecular biology, Issue 2, Vol. 327, 507-20
PubMed: 12628254 |
Selenko P, Sattler M (2003)
Switching off the switch.
Structure (London, England : 1993), Issue 2, Vol. 11, 131-2
PubMed: 12575930 |
Sprangers R, Selenko P, Sattler M, Sinning I, Groves MR (2003)
Definition of domain boundaries and crystallization of the SMN Tudor domain.
Acta crystallographica. Section D, Biological crystallography, Issue Pt 2, Vol. 59, 366-8
PubMed: 12554955 |
Markwick PR, Sprangers R, Sattler M (2003)
Dynamic effects on j-couplings across hydrogen bonds in proteins.
Journal of the American Chemical Society, Issue 3, Vol. 125, 644-5
DOI: 10.1021/ja028875w, PubMed: 12526659 |
Simon B, Sattler M (2002)
De novo structure determination from residual dipolar couplings by NMR spectroscopy.
Angewandte Chemie (International ed. in English), Issue 3, Vol. 41, 437-40
PubMed: 12491371 |
Wiesner S, Stier G, Sattler M, Macias MJ (2002)
Solution structure and ligand recognition of the WW domain pair of the yeast splicing factor Prp40.
Journal of molecular biology, Issue 4, Vol. 324, 807-22
PubMed: 12460579 |
Douangamath A, Filipp FV, Klein AT, Barnett P, Zou P, Voorn-Brouwer T, Vega MC, Mayans OM, Sattler M, Distel B, Wilmanns M (2002)
Topography for independent binding of alpha-helical and PPII-helical ligands to a peroxisomal SH3 domain.
Molecular cell, Issue 5, Vol. 10, 1007-17
PubMed: 12453410 |
Zou P, Gautel M, Geerlof A, Wilmanns M, Koch MH, Svergun DI (2003)
Solution scattering suggests cross-linking function of telethonin in the complex with titin.
The Journal of biological chemistry, Issue 4, Vol. 278, 2636-44
DOI: 10.1074/jbc.M210217200, PubMed: 12446666 |
Tetko IV, Tanchuk VY (2002)
Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program.
Journal of chemical information and computer sciences, Issue 5, Vol. 42, 1136-45
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Kellenberger E, Stier G, Sattler M (2002)
Induced folding of the U2AF35 RRM upon binding to U2AF65.
FEBS letters, Issue 1-3, Vol. 528, 171-6
PubMed: 12297299 |
Tetko IV (2002)
Neural network studies. 4. Introduction to associative neural networks.
Journal of chemical information and computer sciences, Issue 3, Vol. 42, 717-28
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Zanier K, Luyten I, Crombie C, Muller B, Schümperli D, Linge JP, Nilges M, Sattler M (2002)
Structure of the histone mRNA hairpin required for cell cycle regulation of histone gene expression.
RNA (New York, N.Y.), Issue 1, Vol. 8, 29-46
PubMed: 11871659 |