Publikationen

2020

Zeitschriftenartikel

Bayer, N. J.; Januliene, D.; Zocher, G.; Stehle, T.; Möller, A.; Blaum, B. S.: Structure of Merkel cell polyomavirus capsid and interaction with its glycosaminoglycan attachment receptor. Journal of Virology 94 (20), e01664-19 (2020)

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Psaroulaki, A.; Mathioudaki, E.; Vranakis, I.; Chochlakis, D.; Yachnakis, E.; Kokkini , S.; Xie, H.; Tsiotis, G.: In the Search of Potential Serodiagnostic Proteins to Discriminate Between Acute and Chronic Q Fever in Humans. Some Promising Outcomes. Frontiers in Cellular and Infection Microbiology 10, 557027 (2020)

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Buczak, K.; Kirkpatrick, J. M.; Truckenmueller, F.; Santinha, D.; Ferreira, L.; Roessler, S.; Singer, S.; Beck, M.; Ori, A.: Spatially resolved analysis of FFPE tissue proteomes by quantitative mass spectrometry. Nature Protocols 15 (9), S. 2956 - 2979 (2020)

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Mykuliak, V. V.; Sikora, M.; Booth, J. J.; Cieplak, M.; Shalashilin, D. V.; Hytönen, V. P.: Mechanical Unfolding of Proteins - A Comparative Nonequilibrium Molecular Dynamics Study. Biophysical Journal 119, S. 939 - 949 (2020)

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Sawa-Makarska, J.; Baumann, V.; Coudevylle, N.; von Bülow, S.; Nogellova, V.; Abert, C.; Schuschnig, M.; Graef, M.; Hummer, G.; Martens, S.: Reconstitution of autophagosome nucleation defines Atg9 vesicles as seeds for membrane formation. Science 369 (6508), eaaz7714 (2020)

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Shima, S.; Huang, G.; Wagner, T.; Ermler, U.: Structural Basis of Hydrogenotrophic Methanogenesis. Annual Review of Microbiology 74, S. 713 - 733 (2020)

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Wu, D.; Grund, T. N.; Welsch, S.; Mills, D.; Michel, M.; Safarian, S.; Michel, H.: Structural basis for amino acid exchange by a human heteromeric amino acid transporter. Proceedings of the National Academy of Sciences of the United States of America 117 (35), 202008111, S. 21281 - 21287 (2020)

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Reyer, A.; Häßler, M.; Scherzer, S.; Huang, S.; Pedersen, J. T.; Al-Rascheid, K. A. S.; Bamberg, E.; Palmgren, M.; Dreyer, I.; Nagel, G. et al.; Hedrich, R.; Becker, D.: Channelrhodopsin-mediated optogenetics highlights a central role of depolarization-dependent plant proton pumps. Proceedings of the National Academy of Sciences of the United States of America 117 (34), S. 20920 - 20925 (2020)

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Scherr, J.; Tang, Z.; Küllmer, M.; Balser, S.; Scholz, A. S.; Winter, A.; Parey, K.; Rittner, A.; Grininger, M.; Zickermann, V. et al.; Rhinow, D.; Terfort, A.; Turchanin, A.: Smart Molecular Nanosheets for Advanced Preparation of Biological Samples in Electron Cryo-Microscopy. ACS Nano 14 (8), S. 9972 - 9978 (2020)

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Lans, I.; Anoz-Carbonell, E.; Palacio-Rodríguez, K.; Aínsa, J. A.; Medina, M.; Cossio, P.: In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target. PLoS Computational Biology 16 (8), e1007898 (2020)

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Lee, B.-G.; Merkel, F.; Allegretti, M.; Hassler, M.; Cawood, C.; Lecomte, L.; O'Reilly, F. J.; Sinn, L. R.; Gutierrez-Escribano, P.; Kschonsak, M. et al.; Bravo, S.; Nakane, T.; Rappsilber, J.; Aragon, L.; Beck, M.; Löwe, J.; Haering, C. H.: Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism. Nature Structural and Molecular Biology 27 (8), S. 743 - 751 (2020)

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Parey, K. K.; Wirth, C.; Vonck, J.; Zickermann, V.: Respiratory complex I - structure, mechanism and evolution. Current Opinion in Structural Biology 63 (2020)

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Rhinow, D.; Hampp, N.: Electron beam-induced electrostatic charging causes spectral changes of an insulating electrochromic material. Applied Physics Letters 117 (8), 083701 (2020)

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Sanchez, R. M.; Zhang, Y.; Chen, W.; Dietrich, L.; Kudryashev, M.: Subnanometer-resolution structure determination in situ by hybrid subtomogram averaging - single particle cryo-EM. Nature Communications 11, 3709 (2020)

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Ortiz , S.; Stanisic, L.; Rodriguez , B. A.; Rampp, M.; Hummer, G.; Cossio, P.: Validation tests for cryo-EM maps using an independent particle set. Journal of Structural Biology: X 4, 100032 (2020)

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Elamri, I.; Radloff, M.; Hohmann, K. F.; Nimbarte, V. D.; Nasiri, H. R.; Bolte, M.; Safarian, S.; Michel, H.; Schwalbe, H.: Synthesis and Biological Screening of new Lawson Derivatives as selective substrate‐based Inhibitors of Cytochrome bo₃ Ubiquinol Oxidase from Escherichia coli. ChemMedChem 15 (14), S. 1262 - 1271 (2020)

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Bullerjahn, J. T.; von Bülow, S.; Hummer, G.: Optimal estimates of self-diffusion coefficients from molecular dynamics simulations. The Journal of Chemical Physics 153 (2), 024116 (2020)

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von Bülow, S.; Bullerjahn, J. T.; Hummer, G.: Systematic errors in diffusion coefficients from long-time molecular dynamics simulations at constant pressure. The Journal of Chemical Physics 153 (2), 021101 (2020)

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Zeng, H.; Zhu, G.; Zhang, S.; Li, X.; Martin, J.; Morgner, N.; Sun, F.; Peng, G.; Xie, H.; Michel, H.: Isolated Heme A Synthase from Aquifex aeolicus Is a Trimer. mBio 11 (3), e02615-19 (2020)

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Dasbach, M.; Pyschik, M.; Lehmann, V.; Parey, K.; Rhinow, D.; Reinhardt, H. M.; Hampp, N. A.: Assembling Carbon Nanotube Architectures. ACS Nano 14 (7), S. 8181 - 8190 (2020)

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Schwierz, N.: Kinetic pathways of water exchange in the first hydration shell of magnesium. The Journal of Chemical Physics 152 (22), 224106 (2020)

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Jost Lopez, A.; Quoika, P. K.; Linke, M.; Hummer, G.; Köfinger, J.: Quantifying Protein-Protein Interactions in Molecular Simulations. The Journal of Physical Chemistry B 124 (23), S. 4673 - 4685 (2020)

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Cruz-León, S.; Schwierz, N.: Hofmeister Series for Metal-Cation-RNA Interactions: The Interplay of Binding Affinity and Exchange Kinetics. Langmuir 36 (21), S. 5979 - 5989 (2020)

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Cossio, P.: Need for Cross-Validation of Single Particle Cryo-EM. Journal of Chemical Information and Modeling 60 (5), S. 2413 - 2418 (2020)

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Neuhaus, A.; Selvaraj, M.; Salzer, R.; Langer, J. D.; Kruse, K.; Kirchner, L.; Sanders, K.; Daum, B.; Averhoff, B.; Gold, V.: Cryo-electron microscopy reveals two distinct type IV pili assembled by the same bacterium. Nature Communications 11, 2231 (2020)

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Bausewein, T.; Naveed, H.; Liang, J.; Nussberger, S.: The structure of the TOM core complex in the mitochondrial outer membrane. Biological Chemistry 401 (6-7), S. 687 - 697 (2020)

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Bikmullin, A. G.; Nurullina, L. I.; Garaeva, N. S.; Klochkova, E. A.; Blokhin, D. S.; Golubev, A. A.; Validov, S. Z.; Khusainov, I. S.; Usachev, K. S.; Yusupov, M. M.: In vitro Reconstitution of the S. aureus 30S Ribosomal Subunit and RbfA Factor Complex for Structural Studies. Biochemistry-Moscow 85 (5), S. 545 - 552 (2020)

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Kovalev, K.; Astashkin, R.; Gushchin, I.; Orekhov, P.; Volkov, D.; Zinovev, E.; Marin, E.; Rulev, M.; Alekseev, A.; Royant, A. et al.; Carpentier, P.; Vaganova, S.; Zabelskii, D.; Baeken, C.; Sergeev, I.; Balandin, T.; Bourenkov, G.; Carpena, X.; Boer, R.; Maliar, N.; Borshchevskiy, V.; Büldt, G.; Bamberg, E.; Gordeliy, V.: Molecular mechanism of light-driven sodium pumping. Nature Communications 11, 2137 (2020)

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Wu, X.; Siggel, M.; Ovchinnikov, S.; Mi, W.; Svetlov, V.; Nudler, E.; Liao, M.; Hummer, G.; Rapoport, T. A.: Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex. Science 368 (6489), eaaz2449, S. 385 (2020)

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Altincekic, N.; Löhr, F.; Meier-Credo, J.; Langer, J. D.; Hengesbach, M.; Richter, C.; Schwalbe, H.: Site-Specific Detection of Arginine Methylation in Highly Repetitive Protein Motifs of Low Sequence Complexity by NMR. Journal of the American Chemical Society 142 (16), S. 7647 - 7654 (2020)

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Dörrbaum, A. R.; Alvarez-Castelao, B.; Nassim-Assir, B.; Langer, J. D.; Schuman, E. M.: Proteome dynamics during homeostatic scaling in cultured neurons. eLife 9, e52939 (2020)

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Vitt, S.; Prinz, S.; Hellwig, N.; Morgner, N.; Ermler, U.; Buckel, W.: Molecular and Low-Resolution Structural Characterization of the Na+-Translocating Glutaconyl-CoA Decarboxylase From Clostridium symbiosum. Frontiers in Microbiology 11, 480 (2020)

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Huang, G.; Wagner, T.; Demmer, U.; Warkentin, E.; Ermler, U.; Shima, S.: The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. Journal of Molecular Biology (London) 432 (7), S. 2042 - 2054 (2020)

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Vögele, M.; Bhaskara, R.; Mulvihill, E.; van Pee, K.; Yildiz, Ö.; Kühlbrandt, W.; Müller, D. J.; Hummer, G.: Reply to Desikan et al.: Micelle formation among various mechanisms of toxin pore formation. Proceedings of the National Academy of Sciences of the United States of America 117 (10), S. 5109 - 5110 (2020)

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Chen, W.; Kudryashev, M.: Structure of RyR1 in native membranes. EMBO Reports 21 (5), e49891 (2020)

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Hübner, C. A.; Đikić, I.: ER-phagy and human diseases. Cell Death and Differentiation 27 (3), S. 833 - 842 (2020)

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Kovalev, K.; Volkov, D.; Astashkin, R.; Alekseev, A.; Gushchin, I.; Haro-Moreno, J. M.; Chizhov, I.; Siletsky, S.; Mamedov, M.; Rogachev, A. et al.; Balandin, T.; Borshchevskiy, V.; Popov, A.; Bourenkov, G.; Bamberg, E.; Rodriguez-Valera, F.; Büldt, G.; Gordeliy, V.: High-resolution structural insights into the heliorhodopsin family. Proceedings of the National Academy of Sciences of the United States of America 117 (8), S. 4131 - 4141 (2020)

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Huang, G.; Wagner, T.; Ermler, U.; Shima, S.: Methanogenesis involves direct hydride transfer from H₂ to an organic substrate. Nature Reviews Chemistry 4 (2), S. 213 - 221 (2020)

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Turoňová, B.; Hagen, W. J. H.; Obr, M.; Mosalaganti, S.; Beugelink, J. W.; Zimmerli, C. E.; Kräusslich, H.-G.; Beck, M.: Benchmarking tomographic acquisition schemes for high-resolution structural biology. Nature Communications 11, 876 (2020)

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Ballweg, S.; Sezgin, E.; Doktorova, M.; Covino, R.; Reinhard, J.; Wunnicke, D.; Hänelt, I.; Levental, I.; Hummer, G.; Ernst, R.: Regulation of lipid saturation without sensing membrane fluidity. Nature Communications 11, 756 (2020)

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Fürsch, J.; Kammer, K.-M.; Kreft, S. G.; Beck, M.; Stengel, F.: Proteome-Wide Structural Probing of Low-Abundant Protein Interactions by Cross-Linking Mass Spectrometry. Analytical Chemistry 92 (5), S. 4016 - 4022 (2020)

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Lee, C.-W.; Wilfling, F.; Ronchi, P.; Allegretti, M.; Mosalaganti, S.; Jentsch, S.; Beck, M.; Pfander, B.: Selective autophagy degrades nuclear pore complexes. Nature Cell Biology 22 (2), S. 159 - 166 (2020)

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Biever, A.; Glock, C.; Tushev, G.; Ciirdaeva, E.; Dalmay, T.; Langer, J. D.; Schuman, E. M.: Monosomes actively translate synaptic mRNAs in neuronal processes. Science 367 (6477), eaay4991, S. 526 (2020)

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Tascón, I.; Sousa, J. S.; Corey, R. A.; Mills, D. J.; Griwatz, D.; Aumüller, N.; Mikusevic, V.; Stansfeld, P. J.; Vonck, J.; Hänelt, I.: Structural basis of proton-coupled potassium transport in the KUP family. Nature Communications 11, 626 (2020)

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Joppe, M.; D'Imprima, E.; Salustros, N.; Paithankar, K. S.; Vonck, J.; Grininger, M.; Kühlbrandt, W.: The resolution revolution in cryoEM requires high-quality sample preparation: a rapid pipeline to a high-resolution map of yeast fatty acid synthase. IUCrJ 7 (Pt 2), S. 220 - 227 (2020)

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Heinz, M.; Erlenbach, N.; Stelzl, L. S.; Thierolf, G.; Kamble, N. R.; Sigurdsson, S. T. H.; Prisner, T. F.; Hummer, G.: High-resolution EPR distance measurements on RNA and DNA with the non-covalent Ǵ spin label. Nucleic Acids Research 48 (2), S. 924 - 933 (2020)

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Pogenberg, V.; Ballesteros-Álvarez, J.; Schober, R.; Sigvaldadóttir, I.; Obarska-Kosinska, A.; Milewski, M.; Schindl, R.; Ögmundsdóttir, M. H.; Steingrímsson, E.; Wilmanns, M.: Mechanism of conditional partner selectivity in MITF/TFE family transcription factors with a conserved coiled coil stammer motif. Nucleic Acids Research (London) 48 (2), S. 934 - 948 (2020)

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Fischer, M.; Joppe, M.; Mulinacci, B.; Vollrath, R.; Konstantinidis, K.; Kötter, P.; Ciccarelli, L.; Vonck, J.; Oesterhelt, D.; Grininger, M.: Analysis of the co-translational assembly of the fungal fatty acid synthase (FAS). Scientific Reports 10 (1), 895 (2020)

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Warnau, J.; Wöhlert, D.; Okazaki, K.-I.; Yildiz, Ö.; Gamiz-Hernandez, A. P.; Kaila, V. R. I.; Kühlbrandt, W.; Hummer, G.: Ion Binding and Selectivity of the Na⁺/H⁺ Antiporter MjNhaP1 from Experiment and Simulation. The Journal of Physical Chemistry B 124 (2), S. 336 - 344 (2020)

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Pietrek, L. M.; Stelzl, L. S.; Hummer, G.: Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation 16 (1), S. 725 - 737 (2020)

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Shin, D.; Mukherjee, R.; Liu, Y.; Gonzalez, A.; Bonn, F.; Liu, Y.; Rogov, V. V.; Heinz, M.; Stolz, A.; Hummer, G. et al.; Dötsch, V.; Luo, Z.-Q.; Bhogaraju, S.; Đikić, I.: Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB. Molecular Cell 77 (1), S. 164 - 179 (2020)

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Zhu, G.; Zeng, H.; Zang, S.; Juli, J.; Pang, X.; Hoffman, J.; Zhang, Y.; Morgner, N.; Zhu, Y.; Peng, G. et al.; Michel, H.; Sun, F.: A 3.3 Å‐Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of its Thermal Stability. Angewandte Chemie, International Edition in English 59 (1), S. 343 - 351 (2020)

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Gewering, T.: Klassifizierung von Antikörpern zur Behandlung von COVID-19. Biospektrum 26 (7), S. 750 (2020)

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2019

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Brünle, S.; Eisinger, M. L.; Poppe, J.; Mills, D. J.; Langer, J. D.; Vonck, J.; Ermler, U.: Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism. Proceedings of the National Academy of Sciences of the United States of America 52 (116), S. 26497 - 26504 (2019)

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Parey, K.; Haapanen, O.; Sharma, V.; Köfeler, H.; Züllig, T.; Prinz, S.; Siegmund, K.; Wittig, I.; Mills, D.; Vonck, J. et al.; Kühlbrandt, W.; Zickermann, V.: High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease. Science Advances 5 (12), S. eaax9484 (2019)

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Berman, H. M.; Adams, P. D.; Bonvin, A. A.; Burley, S. K.; Carragher, B.; Chiu, W.; DiMaio, F.; Ferrin, T. E.; Gabanyi, M. J.; Goddard, T. D. et al.; Griffin, P. R.; Haas, J.; Hanke, C. A.; Hoch, J. C.; Hummer, G.; Kurisu, G.; Lawson, C. L.; Leitner, A.; Markley, J. L.; Meiler, J.; Montelione, G. T.; Phillips, G. N.; Prisner, T.; Rappsilber, J.; Schriemer, D. C.; Schwede, T.; Seidel, C. A. M.; Strutzenberg, T. S.; Svergun, D. I.; Tajkhorshid, E.; Trewhella, J.; Vallat, B.; Velankar, S.; Vuister, G. W.; Webb, B.; Westbrook, J. D.; White, K. L.; Sali, A.: Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. Structure 27 (12), S. 1745 - 1759 (2019)

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Mikušević, V.; Schrecker, M.; Kolesova, N.; Patiño-Ruiz, M.; Fendler, K.; Hänelt, I.: A channel profile report of the unusual K⁺ channel KtrB. Journal of General Physiology 151 (12), S. 1357 - 1368 (2019)

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Baldering, T. N.; Bullerjahn, J. T.; Hummer, G.; Heilemann, M.; Malkusch, S.: Molecule counts in complex oligomers with single-molecule localization microscopy. Journal of Physics D: Applied Physics 52 (47), 474002 (2019)

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Ehrenberg, D.; Krause, N.; Saita, M.; Bamann, C.; Kar, R. K.; Hoffmann, K.; Heinrich, D.; Schapiro, I.; Heberle, J.; Schlesinger, R.: Atomistic Insight into the Role of Threonine 127 in the Functional Mechanism of Channelrhodopsin-2. Applied Sciences 9 (22), 4905 (2019)

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Pohl, C.; Đikić, I.: Cellular quality control by the ubiquitin-proteasome system and autophagy. Science 366 (6467), S. 818 - 822 (2019)

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Herhaus, L.; Bhaskara, R.; Lystad, A. H.; Gestal-Mato, U.; Covarrubias-Pinto, A.; Bonn, F.; Simonsen, A.; Hummer, G.; Đikić, I.: TBK1-mediated phosphorylation of LC3C and GABARAP-L2 controls autophagosome shedding by ATG4 protease. EMBO Reports 21 (1), e48317 (2019)

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Lencina, A. M.; Koepke, J.; Preu, J.; Münke, C.; Gennis, R. B.; Michel, H.; Schurig-Briccio, L. A.: Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus. Biochimica et Biophysica Acta, Bioenergetics 1860 (11), e148080 (2019)

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Pfeil-Gardiner, O.; Mills, D. J.; Vonck, J.; Kuehlbrandt, W.: A comparative study of single-particle cryo-EM with liquid-nitrogen and liquid-helium cooling. IUCrJ 6, S. 1099 - 1105 (2019)

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Wang, X.; You, X.; Langer, J. D.; Hou, J.; Rupprecht, F.; Vlatkovic, I.; Quedenau, C.; Tushev, G.; Epstein, I.; Schaefke, B. et al.; Sun , W.; Fang, L.; Li, G.; Hu , Y.; Schuman, E. M.; Chen, W.: Full-length transcriptome reconstruction reveals a large diversity of RNA and protein isoforms in rat hippocampus. Nature Communications 10, 5009 (2019)

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Bratanov, D.; Kovalev, K.; Machtens, J.-P.; Astashkin, R.; Chizhov, I.; Soloviov, D.; Volkov, D.; Polovinkin, V.; Zabelskii, D.; Mager, T. et al.; Gushchin, I.; Rokitskaya, T.; Antonenko, Y.; Alekseev, A.; Shevchenko, V.; Yutin, N.; Rosselli, R.; Baeken, C.; Borshchevskiy, V.; Bourenkov, G.; Popov, A.; Balandin, T.; Büldt, G.; Manstein, D. J.; Rodriguez-Valera, F.; Fahlke, C.; Bamberg, E.; Koonin, E.; Gordeliy, V.: Unique structure and function of viral rhodopsins. Nature Communications 10, 4939 (2019)

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Patiño-Ruiz, M.; Fendler, K.; Călinescu, O.: Mutation of two key aspartate residues alters stoichiometry of the NhaB Na⁺/H⁺ exchanger from Klebsiella pneumoniae. Scientific Reports 9, 15390 (2019)

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Kim, G.; Shin, D.; Lee, S.; Yun, J.; Lee, S.: Crystal Structure of IlvC, a Ketol-Acid Reductoisomerase, from Streptococcus Pneumoniae. Crystals 9 (11), 551 (2019)

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Hampoelz, B.; Schwarz, A.; Ronchi, P.; Bragulat-Teixidor, H.; Tischer, C.; Gaspar, I.; Ephrussi, A.; Schwab, Y.; Beck, M.: Nuclear Pores Assemble from Nucleoporin Condensates During Oogenesis. Cell 179 (3), S. 671 - 686.e17 (2019)

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Siggel, M.; Bhaskara, R. M.; Hummer, G.: Phospholipid Scramblases Remodel the Shape of Asymmetric Membranes. The Journal of Physical Chemistry Letters 10 (20), S. 6351 - 6354 (2019)

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Ruesink, H.; Reimer, L.; Gregersen, E.; Möller, A.; Betzer, C.; Jensen, P. H.: Stabilization of α-synuclein oligomers using formaldehyde. PLoS One 14 (10), e0216764 (2019)

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Safarian, S.; Hahn, A.; Mills, D.; Radloff, M.; Eisinger, M. L.; Nikolaev, A.; Meier-Credo, J.; Melin, F.; Miyoshi, H.; Gennis, R.B. et al.; Sakamoto, J.; Langer, J. D.; Hellwig, P.; Kühlbrandt, W.; Michel, H.: Active site rearrangement and structural divergence in prokaryotic respiratory oxidases. Science 366 (6461), S. 100 - 104 (2019)

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Covino, R.; Woodside, M. T.; Hummer, G.; Szabo, A.; Cossio, P.: Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors. The Journal of Chemical Physics 151 (15), 154115 (2019)

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Schwarz, A.; Beck, M.: The Benefits of Cotranslational Assembly: A Structural Perspective. Trends in Cell Biology 29 (10), S. 791 - 803 (2019)

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Degl'Innocenti, A.; Meloni, G.; Mazzolai, B.; Ciofani, G.: A purely bioinformatic pipeline for the prediction of mammalian odorant receptor gene enhancers. BMC Bioinformatics 20 (1), 474 (2019)

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Bhattacharjee, A. S.; Konakamchi, S.; Turaev, D.; Vincis, R.; Nunes, D.; Dingankar, A. A.; Spors, H.; Carleton, A.; Kuner, T.; Abraham, N. M.: Similarity and Strength of Glomerular Odor Representations Define a Neural Metric of Sniff-Invariant Discrimination Time. Cell Reports 28 (11), S. 2966 - 2978 (2019)

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Linker, S. M.; Magarkar, A.; Köfinger, J.; Hummer, G.; Seeliger, D.: Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation 15 (9), S. 4974 - 4981 (2019)

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Nishimura, T.; Gecht, M.; Covino, R.; Hummer, G.; Surma, M. A.; Klose, C.; Arai, H.; Kono, N.; Stefan, C. J.: Osh Proteins Control Nanoscale Lipid Organization Necessary for PI(4,5)P₂ Synthesis. Molecular Cell 75 (5), S. 1043 - 1057 (2019)

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Ochoa, R.; Laio, A.; Cossio, P.: Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations. Journal of Chemical Information and Modeling 59 (8), S. 3464 - 3473 (2019)

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Kourpa, K.; Manarolaki, E.; Lyratzakis, A.; Strataki, V.; Rupprecht, F. A.; Langer, J. D.; Tsiotis, G.: Proteome Analysis of Enriched Heterocysts from Two Hydrogenase Mutants from Anabaena sp. PCC 7120. Proteomics 19 (19), 1800332 (2019)

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Bhogaraju, S.; Bonn, F.; Mukherjee, R.; Adams, M.; Pfleiderer, M. M.; Galej, W. P.; Matkovic, V.; Lopez-Mosqueda, J.; Kalayil, S.; Shin, D. et al.; Đikić, I.: Inhibition of bacterial ubiquitin ligases by SidJ-calmodulin catalysed glutamylation. Nature 572 (7769), S. 382 - 386 (2019)

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Henderson, R. K.; Fendler, K.; Poolman, B.: Coupling efficiency of secondary active transporters. Current Opinion in Biotechnology 58, S. 62 - 71 (2019)

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Bahrami, A.; Bahrami, A. H.: Vesicle constriction by rings of Janus nanoparticles and aggregates of curved proteins. Nanotechnology 30 (34), 345101 (2019)

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Hofmann, S.; Januliene, D.; Mehdipour, A. R.; Thomas, C.; Stefan, E.; Brüchert, S.; Kuhn, B. T.; Geertsma, E. R.; Hummer, G.; Tampé, R. et al.; Möller, A.: Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature 571 (7766), S. 580 - 583 (2019)

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Faelber, K.; Dietrich, L.; Noel, J. K.; Wollweber, F.; Pfitzner, A.-K.; Mühleip, A.; Sánchez, R.; Kudryashev, M.; Chiaruttini, N.; Lilie, H. et al.; Schlegel, J.; Rosenbaum, E.; Hessenberger, M.; Matthaeus, C.; Kunz, S.; von der Malsburg, A.; Noè, F.; Roux, A.; van der Laan, M.; Kühlbrandt, W.; Daumke, O.: Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature 571 (7765), S. 429 - 433 (2019)

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Timcenko, M.; Lyons, J. A.; Januliene, D.; Ulstrup, J. J.; Dieudonné, T.; Montigny, C.; Ash, M.-R.; Karlsen, J. L.; Boesen, T.; Kühlbrandt, W. et al.; Lenoir, G.; Möller, A.; Nissen, P.: Structure and autoregulation of a P4-ATPase lipid flippase. Nature 571 (7765), S. 366 - 370 (2019)

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Vögele, M.; Bhaskara, R.; Mulvihill, E.; van Pee, K.; Yildiz, Ö.; Kühlbrandt, W.; Müller, D. J.; Hummer, G.: Membrane perforation by the pore-forming toxin pneumolysin. Proceedings of the National Academy of Sciences of the United States of America 116 (27), S. 13352 - 13357 (2019)

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Bausewein, T.; Nussberger, S.; Kühlbrandt, W.: Cryo-EM structure of Neurospora crassa respiratory complex IV. IUCrJ 6 (4), S. 773 - 780 (2019)

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Scherr, J.; Neuhaus, A.; Parey, K.; Klusch, N.; Murphy, B. J.; Zickermann, V.; Kühlbrandt, W.; Terfort, A.; Rhinow, D.: Noncovalent Functionalization of Carbon Substrates with Hydrogels Improves Structural Analysis of Vitrified Proteins by Electron Cryo-Microscopy. ACS Nano 13 (6), S. 7185 - 7190 (2019)

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Murphy, B. J.; Klusch, N.; Langer, J. D.; Mills, D.; Yildiz, Ö.; Kühlbrandt, W.: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F₁-F_o coupling. Science 364 (6446), eaaw9128, S. 1155 (2019)

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Vögele, M.; Köfinger, J.; Hummer, G.: Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 123 (24), S. 5099 - 5106 (2019)

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Zakrzewska, S.; Mehdipour, A. R.; Malviya, V. N.; Nonaka, T.; Koepke, J.; Muenke, C.; Hausner, W.; Hummer, G.; Safarian, S.; Michel, H.: Inward-facing conformation of a multidrug resistance MATE family transporter. Proceedings of the National Academy of Sciences of the United States of America 116 (25), S. 12275 - 12284 (2019)

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Langebeck-Jensen, K.; Shahar, O. D.; Schuman, E. M.; Langer, J. D.; Soojin, R.: Larval Zebrafish Proteome Regulation in Response to an Environmental Challenge. Proteomics 19 (14), 1900028 (2019)

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Yilmaz, I.; Yildiz, Ö.; Korkmaz, F.: Structural properties of an engineered outer membrane protein G mutant, OmpG-16SL, investigated with infrared spectroscopy. Journal of Biomolecular Structure and Dynamics 37 (2019)

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Huang, G.; Wagner, T.; Wodrich, M. D.; Ataka, K.; Bill, E.; Ermler, U.; Hu, X.; Shima, S.: The atomic-resolution crystal structure of activated [Fe]-hydrogenase. Nature Catalysis 2 (6), S. 537 - 543 (2019)

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Singh, S.; Akhter, M. S.; Dodt, J.; Volkers, P.; Reuter, A.; Reinhart, C.; Krettler, C.; Oldenburg, J.; Biswas, A.: Identification of Potential Novel Interacting Partners for Coagulation Factor XIII B (FXIII-B) Subunit, a Protein Associated with a Rare Bleeding Disorder. International Journal of Molecular Sciences 20 (11), 2682 (2019)

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Bhaskara, R.; Grumati, P.; Garcia-Pardo, J.; Kalayil, S.; Covarrubias-Pinto, A.; Chen, W.; Kudryashev, M.; Đikić, I.; Hummer, G.: Curvature induction and membrane remodeling by FAM134B reticulon homology domain assist selective ER-phagy. Nature Communications 10, 2370 (2019)

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Holzer, K.; Ori, A.; Cooke, A.; Dauch, D.; Drucker, E.; Riemenschneider, P.; Andres-Pons, A.; DiGuilio, A. L.; Mackmull, M.-T.; Baßler, J. et al.; Roessler, S.; Breuhahn, K.; Zender, L.; Glavy, J. S.; Dombrowski, F.; Hurt, E.; Schirmacher, P.; Beck, M.; Singer, S.: Nucleoporin Nup155 is part of the p53 network in liver cancer. Nature Communications 10, 2147 (2019)

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Köfinger, J.; Stelzl, L. S.; Reuter, K.; Allande, C.; Reichel, K.; Hummer, G.: Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation 15 (5), S. 3390 - 3409 (2019)

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von Bülow, S.; Siggel, M.; Linke, M.; Hummer, G.: Dynamic cluster formation determines viscosity and diffusion in dense protein solutions. Proceedings of the National Academy of Sciences of the United States of America 116 (20), S. 9843 - 9852 (2019)

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