Publications
Chora, A.F. ; Pedroso, D. ; Kyriakou, E. ; Pejanovic, N. ; Colaço, H. ; Gozzelino, R. ; Barros, A. ; Willmann, K. ; Velho, T.R. ; Moita, C. ; Santos, I. ; Pereira, P. ; Carvalho, S. ; Martins, F.B. ; Ferreira, J.A. ; de Almeida, S.F. ; Benes, V. ; Anrather, J. ; Weis, S. ; Soares, M.P. ; Geerlof, A. ; Neefjes, J.J. ; Sattler, M. ; Messias, A.C. ; Neves Costa, A. ; Moita, L.F.
DNA damage independent inhibition of NF-kB transcription by anthracyclines.Napolitano, V. ; Mroz, P. ; Marciniak, M. ; Kalel, V.C. ; Softley, C. ; Janna Olmos, J.D. ; Tippler, B.G. ; Schorpp, K.K. ; Rioton, S. ; Fröhlich, T. ; Plettenburg, O. ; Hadian, K. ; Erdmann, R. ; Sattler, M. ; Popowicz, G.M. ; Dawidowski, M. ; Dubin, G.
Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.Gopalswamy, M. ; Zheng, C. ; Gaussmann, S. ; Kooshapur, H. ; Hambruch, E. ; Schliebs, W. ; Erdmann, R. ; Antes, I. ; Sattler, M.
Distinct conformational and energetic features define the specific recognition of (di)aromatic peptide motifs by PEX14.Petriman, N.A. ; Loureiro-López, M. ; Täschner, M. ; Zacharia, N.K. ; Georgieva, M.M. ; Boegholm, N. ; Wang, J. ; Mourao, A. ; Russell, R.B. ; Andersen, J.S. ; Lorentzen, E.
Biochemically validated structural model of the 15-subunit intraflagellar transport complex IFT-B.Daniilidis, M. ; Brandl, M.J. ; Hagn, F.
The advanced properties of circularized MSP nanodiscs facilitate high-resolution NMR studies of membrane proteins: Advanced NMR properties of circular MSP nanodiscs.Narayanan, D. ; Tran, K.T. ; Pallesen, J.S. ; Solbak, S.M. ; Qin, Y. ; Mukminova, E. ; Luchini, M. ; Vasilyeva, K.O. ; González Chichón, D. ; Goutsiou, G. ; Poulsen, C. ; Haapanen, N. ; Popowicz, G.M. ; Sattler, M. ; Olagnier, D. ; Gajhede, M. ; Bach, A.
Development of noncovalent small-molecule Keap1-Nrf2 inhibitors by fragment-based drug discovery.Makarov, D.M. ; Fadeeva, Y.A. ; Shmukler, L.E. ; Tetko, I.V.
Machine learning models for phase transition and decomposition temperature of ionic liquids.Blahut, J. ; Brandl, M.J. ; Pradhan, T. ; Reif, B. ; Tošner, Z.
Sensitivity-enhanced multidimensional solid-state NMR spectroscopy by optimal-control-based transverse mixing sequences.Tetko, I.V. ; Klambauer, G. ; Clevert, D.A. ; Shah, I. ; Benfenati, E.
Artificial intelligence meets toxicology.Cardoso Micu Menezes, F.M. ; Popowicz, G.M.
ULYSSES: An efficient and easy to use semiempirical library for C+.Kreft, L. ; Schepers, A. ; Hils, M. ; Swiontek, K. ; Flatley, A. ; Janowski, R. ; Mirzaei, M.K. ; Dittmar, M. ; Chakrapani, N. ; Desai, M.S. ; Eyerich, S. ; Deng, L. ; Niessing, D. ; Fischer, K. ; Feederle, R. ; Blank, S. ; Schmidt-Weber, C.B. ; Hilger, C. ; Biedermann, T. ; Ohnmacht, C.
A novel monoclonal IgG1 antibody specific for Galactose-alpha-1,3-galactose questions alpha-Gal epitope expression by bacteria.Napolitano, V. ; Softley, C. ; Blat, A. ; Kalel, V.C. ; Schorpp, K.K. ; Siebenmorgen, T. ; Hadian, K. ; Erdmann, R. ; Sattler, M. ; Popowicz, G.M. ; Dubin, G.
Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma.Sundaria, A. ; Liberta, F. ; Savran, D. ; Sarkar, R. ; Rodina, N. ; Peters, C. ; Schwierz, N. ; Haupt, C. ; Schmidt, M. ; Reif, B.
SAA fibrils involved in AA amyloidosis are similar in bulk and by single particle reconstitution: A MAS solid-state NMR study.Cardoso Micu Menezes, F.M. ; Popowicz, G.M.
Acid rain and flue gas: Quantum chemical hydrolysis of NO2.Liu, N. ; O'Connor, P. ; Gujrati, V. ; Anzenhofer,P. ; Klemm, U. ; Kleigrewe, K. ; Sattler, M. ; Plettenburg, O. ; Ntziachristos, V.
Multifunctional croconaine nanoparticles for efficient optoacoustic imaging of deep tumors and photothermal therapy.Kitel, R. ; Rodríguez, I. ; del Corte, X. ; Atmaj, J. ; Zarnik, M. ; Surmiak, E. ; Muszak, D. ; Magiera-Mularz, K. ; Popowicz, G.M. ; Holak, T.A. ; Musielak, B.
Exploring the surface of the ectodomain of the PD-L1 immune checkpoint with small-molecule fragments.Marcisz, M. ; Gaardløs, M. ; Bojarski, K.K. ; Siebenmorgen, T. ; Zacharias, M. ; Samsonov, S.A.
Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes.Nguyen, A. ; Gemmecker, G. ; Softley, C. ; Movsisyan, L.D. ; Pfaffeneder, T. ; Heine, A. ; Reuter, K. ; Diederich, F. ; Sattler, M. ; Klebe, G.
19F-NMR unveils the ligand-induced conformation of a catalytically inactive twisted homodimer of tRNA-guanine transglycosylase.Jones, A. ; Walbrun, A. ; Falleroni, F. ; Rief, M. ; Sattler, M.
Conformational effects of a cancer-linked mutation in pri-miR-30c RNA.Cardoso Micu Menezes, F.M. ; Popowicz, G.M.
How to catch the ball: Fullerene binding to the corannulene pincer.Jones, A. ; Mourao, A. ; Czarna, A. ; Matsuda, A. ; Fino, R. ; Pyrc, K. ; Sattler, M. ; Popowicz, G.M.
Characterization of SARS-CoV-2 replication complex elongation and proofreading activity.Jussupow, A. ; Lopez, A. ; Baumgart, M. ; Mader, S.L. ; Sattler, M. ; Kaila, V.R.I.
Extended conformational states dominate the Hsp90 chaperone dynamics.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.M. ; Wyatt, P.G. ; Dubin, G. ; Pyrc, K.
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.Mishima, E. ; Ito, J. ; Wu, Z. ; Nakamura, T. ; Wahida, A. ; Doll, S. ; Tonnus, W. ; Nepachalovich, P. ; Eggenhofer, E. ; Aldrovandi, M. ; Henkelmann, B. ; Yamada, K.i. ; Wanninger, J. ; Zilka, O. ; Sato, E. ; Feederle, R. ; Hass, D, ; Maida, A. ; Mourao, A. ; Linkermann, A. ; Geissler, E.K. ; Nakagawa, K. ; Abe, T. ; Fedorova, M. ; Proneth, B. ; Pratt, D.A. ; Conrad, M.
A non-canonical vitamin K cycle is a potent ferroptosis suppressor.Metelytsia, L.O. ; Hodyna, D.M. ; Semenyuta, I.V. ; Kovalishyn, V.V. ; Rogalsky, S.P. ; Derevianko, Y.K. ; Brovarets, V.S. ; Tetko, I.V.
Theoretical and experimental studies of phosphonium ionic liquids as potential antibacterials of MDR Acinetobacter baumannii.Jones, A. ; Grass, C. ; Meininger, I. ; Geerlof, A. ; Klostermann, M. ; Zarnack, K. ; Krappmann, D. ; Sattler, M.
Modulation of pre-mRNA structure by hnRNP proteins regulates alternative splicing of MALT1.Xue, K. ; Sarkar, R. ; Tosner, Z. ; Reif, B.
Field and magic angle spinning frequency dependence of proton resonances in rotating solids.Hillenmayer, A. ; Wertheimer, C.M. ; Geerlof, A. ; Eibl, K.H. ; Priglinger, S. ; Priglinger, C. ; Ohlmann, A.
Galectin-1 and -3 in high amounts inhibit angiogenic properties of human retinal microvascular endothelial cells in vitro.Jessberger, N. ; Diedrich, R. ; Janowski, R. ; Niessing, D. ; Märtlbauer, E.
Presence and function of Hbl B', the fourth protein component encoded by the hbl operon in Bacillus cereus.Opdensteinen, P. ; Sperl, L.E. ; Mohamadi, M. ; Kündgen-Redding, N. ; Hagn, F. ; Buyel, J.F.
The transient expression of recombinant proteins in plant cell packs facilitates stable isotope labeling for NMR spectroscopy.Schuhmann, P. ; Engstler, C. ; Klöpfer, K. ; Gügel, I.L. ; Abbadi, A. ; Dreyer, F.S. ; Leckband, G. ; Bölter, B. ; Hagn, F. ; Soll, J. ; Carrie, C.
Two wrongs make a right: Heat stress reversion of a male-sterile Brassica napus line.Miranda, A.S. ; Marcos, P.M. ; Ascenso, J.R. ; Berberan-Santos, M.N. ; Cardoso Micu Menezes, F.M.
Anion binding by fluorescent ureido-hexahomotrioxacalix[3]arene receptors: An NMR, absorption and emission spectroscopic study.Xia, Z. ; Karpov, P. ; Popowicz, G.M. ; Sattler, M. ; Tetko, I.V.
What features of ligands are relevant to the opening of cryptic pockets in drug targets?Harati Taji, Z. ; Bielytskyi, P. ; Shein, M. ; Sani, M.A. ; Seitz, S. ; Schütz, A.K.
Transient RNA interactions leave a covalent imprint on a viral capsid protein.Özparpucu, M. ; Sánchez-Ferrer, A. ; Schuh, M. ; Wilhelm, B. ; Sarkar, R. ; Reif, B. ; Windeisen-Holzhauser, E. ; Richter, K.
Acidic wood extractives accelerate the curing process of emulsion polymer isocyanate adhesives.Rusanov, A.I. ; Dmitrieva, O.A. ; Mamardashvili, N.Z. ; Tetko, I.V.
More is not always better: Local models provide accurate predictions of spectral properties of porphyrins.Napolitano, V. ; Dabrowska, A. ; Schorpp, K.K. ; Mourao, A. ; Barreto-Duran, E. ; Benedyk, M. ; Botwina, P. ; Brandner, S. ; Bostock, M.J. ; Chykunova, Y. ; Czarna, A. ; Dubin, G. ; Fröhlich, T. ; Hölscher, M. ; Jedrysik, M. ; Matsuda, A. ; Owczarek, K. ; Pachota, M. ; Plettenburg, O. ; Potempa, J.S. ; Rothenaigner, I. ; Schlauderer, F. ; Slysz, K. ; Szczepanski, A. ; Greve-Isdahl Mohn, K. ; Blomberg, B. ; Sattler, M. ; Hadian, K. ; Popowicz, G.M. ; Pyrc, K.
Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.Chaves-Arquero, B. ; Martinez Lumbreras, S. ; Camero, S. ; Santiveri, C.M. ; Mirassou, Y. ; Campos-Olivas, R. ; Jimenez, M. ; Calvo, O. ; Pérez-Cañadillas, J.M.
Structural basis of Nrd1-Nab3 heterodimerization.Popowicz, G.M. ; Pyrc, K. ; Hadian, K.
Vaccination versus SARS-CoV-2 Omicron: Three vaccine doses win the battle.Jones, A. ; Tikhaia, E. ; Mourao, A. ; Sattler, M.
Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1.Biebl, M.M. ; Delhommel, F. ; Faust, O. ; Zak, K.M. ; Agam, G. ; Guo, X. ; Mühlhofer, M. ; Dahiya, V. ; Hillebrand, D. ; Popowicz, G.M. ; Kampmann, M. ; Lamb, D.C. ; Rosenzweig, R. ; Sattler, M. ; Buchner, J.
NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.Margreiter, M.A. ; Witzenberger, M. ; Wasser, Y. ; Davydova, E.-O. ; Janowski, R. ; Metz, J. ; Habib, P. ; Sahnoun, S.E.M. ; Sobisch, C. ; Poma, B. ; Palomino-Hernández, O. ; Wagner, M. ; Carell, T. ; Jon Shah, N. ; Schulz, J.B. ; Niessing, D. ; Voigt, A. ; Rossetti, G.
Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.Lam, D.D. ; Williams, R.H. ; Lujan, E. ; Tanabe, K. ; Huber, G. ; Saw, N.L. ; Merl-Pham, J. ; Salminen, A.V. ; Lohse, D. ; Spendiff, S. ; Plastini, M.J. ; Zech, M. ; Lochmüller, H. ; Geerlof, A. ; Hauck, S.M. ; Shamloo, M. ; Wernig, M. ; Winkelmann, J.
Collagen VI regulates motor circuit plasticity and motor performance by cannabinoid modulation.Ksenofontov, A.A. ; Lukanov, M.M. ; Bocharov, P.S. ; Berezin, M.B. ; Tetko, I.V.
Deep neural network model for highly accurate prediction of BODIPYs absorption.Chrustowicz, J. ; Sherpa, D. ; Teyra, J. ; Loke, M.S. ; Popowicz, G.M. ; Basquin, J. ; Sattler, M. ; Prabu, J.R. ; Sidhu, S.S. ; Schulman, B.A.
Multifaceted N-degron recognition and ubiquitylation by GID/CTLH E3 ligases.Bernaudat, F. ; Gustems, M. ; Günther, J. ; Oliva, M.F. ; Buschle, A. ; Göbel,C. ; Pagniez, P. ; Lupo, J. ; Signor, L. ; Müller, C.W. ; Morand, P. ; Sattler, M. ; Hammerschmidt, W. ; Petosa, C.
Structural basis of DNA methylation-dependent site selectivity of the Epstein-Barr virus lytic switch protein ZEBRA/Zta/BZLF1.Heumüller, A.W. ; Jones, A. ; Mourao, A. ; Klangwart, M. ; Shi, C. ; Wittig, I. ; Fischer, A. ; Muhly Reinholz, M. ; Buchmann, G.K. ; Dieterich, C. ; Potente, M. ; Braun, T. ; Grote, P. ; Jaé, N. ; Sattler, M. ; Dimmeler, S.
Locus-conserved circular RNA cZNF292 controls endothelial cell flow responses.Reif, B.
Deuteration for high-resolution detection of protons in protein magic angle spinning (MAS) solid-state NMR.Borchard, S. ; Raschke, S. ; Zak, K.M. ; Eberhagen, C. ; Einer, C. ; Weber, E. ; Müller, S.M. ; Michalke, B. ; Lichtmannegger, J. ; Wieser, A. ; Rieder, T. ; Popowicz, G.M. ; Adamski, J. ; Klingenspor, M. ; Coles, A.H. ; Viana, R. ; Vendelbo, M.H. ; Sandahl, T.D. ; Schwerdtle, T. ; Plitz, T. ; Zischka, H.
Bis-choline tetrathiomolybdate prevents copper-induced blood-brain barrier damage.