Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein–protein interface A Metz, C Pfleger, H Kopitz, S Pfeiffer-Marek, KH Baringhaus, H Gohlke Journal of chemical information and modeling 52 (1), 120-133, 2012 | 141 | 2012 |
Six biophysical screening methods miss a large proportion of crystallographically discovered fragment hits: a case study J Schiebel, N Radeva, SG Krimmer, X Wang, M Stieler, FR Ehrmann, K Fu, ... ACS chemical biology 11 (6), 1693-1701, 2016 | 121 | 2016 |
One question, multiple answers: biochemical and biophysical screening methods retrieve deviating fragment hit lists J Schiebel, N Radeva, H Köster, A Metz, T Krotzky, M Kuhnert, ... ChemMedChem 10 (9), 1511-1521, 2015 | 76 | 2015 |
Modulating protein-protein interactions: from structural determinants of binding to druggability prediction to application A Metz, E Ciglia, H Gohlke Current pharmaceutical design 18 (30), 4630-4647, 2012 | 69 | 2012 |
Soaking suggests “alternative facts”: Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel … FR Ehrmann, J Stojko, A Metz, F Debaene, LJ Barandun, A Heine, ... PLoS One 12 (4), e0175723, 2017 | 45 | 2017 |
Structures of endothiapepsin–fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library FU Huschmann, J Linnik, K Sparta, M Ühlein, X Wang, A Metz, J Schiebel, ... Acta Crystallographica Section F: Structural Biology Communications 72 (5 …, 2016 | 44 | 2016 |
F2X-universal and F2X-entry: structurally diverse compound libraries for crystallographic fragment screening J Wollenhaupt, A Metz, T Barthel, GMA Lima, A Heine, U Mueller, G Klebe, ... Structure 28 (6), 694-706. e5, 2020 | 41 | 2020 |
From determinants of Runx1/Eto tetramerization to small-molecule protein–protein interaction inhibitors targeting acute myeloid leukemia A Metz, J Schanda, M Grez, C Wichmann, H Gohlke Journal of chemical information and modeling 53 (9), 2197-2202, 2013 | 29 | 2013 |
Hot‐spot analysis to dissect the functional protein–protein interface of a tRNA‐modifying enzyme S Jakobi, TXP Nguyen, F Debaene, A Metz, S Sanglier‐Cianférani, ... Proteins: Structure, Function, and Bioinformatics 82 (10), 2713-2732, 2014 | 22 | 2014 |
Experimental active-site mapping by fragments: hot spots remote from the catalytic center of endothiapepsin N Radeva, SG Krimmer, M Stieler, K Fu, X Wang, FR Ehrmann, A Metz, ... Journal of medicinal chemistry 59 (16), 7561-7575, 2016 | 21 | 2016 |
Active site mapping of an aspartic protease by multiple fragment crystal structures: versatile warheads to address a catalytic dyad N Radeva, J Schiebel, X Wang, SG Krimmer, K Fu, M Stieler, FR Ehrmann, ... Journal of Medicinal Chemistry 59 (21), 9743-9759, 2016 | 19 | 2016 |
Suppression of RUNX1/ETO oncogenic activity by a small molecule inhibitor of tetramerization J Schanda, CW Lee, K Wohlan, U Müller-Kuller, H Kunkel, IQL Coco, ... Haematologica 102 (5), e170, 2017 | 14 | 2017 |
Redesigning aldolase stereoselectivity by homologous grafting C Bisterfeld, T Classen, I Küberl, B Henßen, A Metz, H Gohlke, ... PLoS One 11 (6), e0156525, 2016 | 13 | 2016 |
Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking A Metz, J Wollenhaupt, S Glöckner, N Messini, S Huber, T Barthel, ... Acta Crystallographica Section D: Structural Biology 77 (9), 1168-1182, 2021 | 11 | 2021 |
Probing ligand binding of endothiapepsin bytemperature-resolved'macromolecular crystallography CY Huang, S Aumonier, S Engilberge, D Eris, KML Smith, F Leonarski, ... Acta Crystallographica Section D: Structural Biology 78 (8), 964-974, 2022 | 10 | 2022 |
Workflow and tools for crystallographic fragment screening at the Helmholtz-Zentrum Berlin J Wollenhaupt, T Barthel, GMA Lima, A Metz, D Wallacher, E Jagudin, ... JoVE (Journal of Visualized Experiments), e62208, 2021 | 10 | 2021 |
Modular Solid‐Phase Synthesis of Teroxazoles as a Class of α‐Helix Mimetics C Pinto Gomes, A Metz, JW Bats, H Gohlke, MW Göbel European Journal of Organic Chemistry 2012 (17), 3270-3277, 2012 | 10 | 2012 |
Diamondoid Amino Acid‐Based Peptide Kinase A Inhibitor Analogues J Müller, RA Kirschner, JP Berndt, T Wulsdorf, A Metz, R Hrdina, ... ChemMedChem 14 (6), 663-672, 2019 | 7 | 2019 |
Targeting a Cryptic Pocket in a Protein–Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface D Nguyen, X Xie, S Jakobi, F Terwesten, A Metz, TXP Nguyen, ... ACS chemical biology 16 (6), 1090-1098, 2021 | 5 | 2021 |
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket CY Huang, A Metz, R Lange, N Artico, C Potot, J Hazemann, M Müller, ... Acta Crystallographica Section D: Structural Biology 80 (2), 2024 | 3 | 2024 |