Publications by authors named "Markus Rudolph"

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The CASP 16 Experimental Protein-Ligand Datasets.
Andreas Tosstorff, Markus G Rudolph, Jörg Benz, Bernd Kuhn, Christian Kramer

Proteins· January 2026

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Optimization of a DNA encoded library derived autotaxin inhibitor hit to a potent in vivo LPA lowering quinazolinone compound with a non‑zinc binding mode.
Rainer E Martin, Alexander L Satz, Christoph Kuratli, Daniel Hunziker, Patrizio Mattei, Markus G Rudolph

Bioorg Med Chem Lett· August 2025

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A high-resolution data set of fatty acid-binding protein structures. I. Dynamics of FABP4 and ligand binding.
Fabio Casagrande, Andreas Ehler, Dominique Burger, Joerg Benz, Alfred Ross, Markus G Rudolph

Acta Crystallogr D Struct Biol· August 2025

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A high-resolution data set of fatty acid-binding protein structures. II. Crystallographic overview, ligand classes and binding pose.
Andreas Ehler, Joerg Benz, Markus G Rudolph

Acta Crystallogr D Struct Biol· August 2025

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A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Andreas Ehler, Christian Bartelmus, Joerg Benz, Inken Plitzko, Markus G Rudolph

Acta Crystallogr D Struct Biol· August 2025

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Author Correction: Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Kristen A Baltgalvis, Kelsey N Lamb, Kent T Symons, Chu-Chiao Wu, Melissa A Hoffman, Markus G Rudolph

Nature· July 2024

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Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Kristen A Baltgalvis, Kelsey N Lamb, Kent T Symons, Chu-Chiao Wu, Melissa A Hoffman, Markus G Rudolph

Nature· May 2024

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Discovery of Orally Available and Brain Penetrant AEP Inhibitors.
Daniela Krummenacher, Weiping He, Bernd Kuhn, Christian Schnider, Angélica Beurier, Markus G Rudolph

J Med Chem· December 2023

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Details Matter in Structure-based Drug Design.
Bernd Kuhn, Jens-Uwe Peters, Markus G Rudolph, Peter Mohr, Martin Stahl

Chimia (Aarau)· August 2023

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Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
John G Cumming, Lukas Kreis, Holger Kühne, Roger Wermuth, Maarten Vercruysse, Markus G Rudolph

ACS Med Chem Lett· July 2023

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Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Vaibhav P Mhaindarkar, René Rasche, Daniel Kümmel, Markus G Rudolph, Dagmar Klostermeier

Acta Crystallogr D Struct Biol· June 2023

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A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
Andreas Tosstorff, Markus G Rudolph, Jason C Cole, Michael Reutlinger, Christian Kramer

J Comput Aided Mol Des· October 2022

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Synthesis, Characterization, and Evaluation of a Novel Potent Autotaxin-Inhibitor.
Daniel Hunziker, Sabrina Reinehr, Marina Palmhof, Natalie Wagner, Thomas Biniasch, Markus G Rudolph

Front Pharmacol· January 2022

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Reply to Alarcon and Borroto: Small molecule AX-024 reduces T cell proliferation independently of CD3ε-Nck1 interaction at SH3.1.
Kirsten Richter, Arne C Rufer, Magali Muller, Dominique Burger, Fabio Casagrande, Markus G Rudolph

J Biol Chem· July 2020

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Small molecule AX-024 reduces T cell proliferation independently of CD3ϵ/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
Kirsten Richter, Arne C Rufer, Magali Muller, Dominique Burger, Fabio Casagrande, Markus G Rudolph

J Biol Chem· June 2020

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Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7.
Kathrin Jaeger, Steffen Bruenle, Tobias Weinert, Wolfgang Guba, Jonas Muehle, Markus G Rudolph

Cell· August 2019

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DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Hans Richter, Alexander L Satz, Marc Bedoucha, Bernd Buettelmann, Ann C Petersen, Markus G Rudolph

ACS Chem Biol· January 2019

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Domain swap in the C-terminal ubiquitin-like domain of human doublecortin.
Arne C Rufer, Eric Kusznir, Dominique Burger, Martine Stihle, Armin Ruf, Markus G Rudolph

Acta Crystallogr D Struct Biol· May 2018

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Ligand channel in pharmacologically stabilized rhodopsin.
Daniel Mattle, Bernd Kuhn, Johannes Aebi, Marc Bedoucha, Demet Kekilli, Markus G Rudolph

Proc Natl Acad Sci U S A· April 2018

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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Zied Gaieb, Shuai Liu, Symon Gathiaka, Michael Chiu, Huanwang Yang, Markus G Rudolph

J Comput Aided Mol Des· January 2018

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Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
Wojtek Steffen, Fu Chong Ko, Jigar Patel, Victor Lyamichev, Thomas J Albert, Markus G Rudolph

J Biol Chem· September 2017

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Correction to Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
Christian Lerner, Roland Jakob-Roetne, Bernd Buettelmann, Andreas Ehler, Markus G Rudolph

J Med Chem· May 2017

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Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody.
Paola Favuzza, Elena Guffart, Marco Tamborrini, Bianca Scherer, Anita M Dreyer, Markus G Rudolph

Elife· February 2017

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Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
Christian Lerner, Roland Jakob-Roetne, Bernd Buettelmann, Andreas Ehler, Markus Rudolph

J Med Chem· November 2016

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Quadruple space-group ambiguity owing to rotational and translational noncrystallographic symmetry in human liver fructose-1,6-bisphosphatase.
Armin Ruf, Tim Tetaz, Brigitte Schott, Catherine Joseph, Markus G Rudolph

Acta Crystallogr D Struct Biol· November 2016

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