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One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists.
Schiebel J, Radeva N, Köster H, Metz A, Krotzky T, Kuhnert M, Diederich WE, Heine A, Neumann L, Atmanene C, Roecklin D, Vivat-Hannah V, Renaud JP, Meinecke R, Schlinck N, Sitte A, Popp F, Zeeb M, Klebe G. Schiebel J, et al. Among authors: metz a. ChemMedChem. 2015 Sep;10(9):1511-21. doi: 10.1002/cmdc.201500267. Epub 2015 Aug 10. ChemMedChem. 2015. PMID: 26259992
Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Huschmann FU, Linnik J, Sparta K, Ühlein M, Wang X, Metz A, Schiebel J, Heine A, Klebe G, Weiss MS, Mueller U. Huschmann FU, et al. Among authors: metz a. Acta Crystallogr F Struct Biol Commun. 2016 May;72(Pt 5):346-55. doi: 10.1107/S2053230X16004623. Epub 2016 Apr 22. Acta Crystallogr F Struct Biol Commun. 2016. PMID: 27139825 Free PMC article.
Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad.
Radeva N, Schiebel J, Wang X, Krimmer SG, Fu K, Stieler M, Ehrmann FR, Metz A, Rickmeyer T, Betz M, Winquist J, Park AY, Huschmann FU, Weiss MS, Mueller U, Heine A, Klebe G. Radeva N, et al. Among authors: metz a. J Med Chem. 2016 Nov 10;59(21):9743-9759. doi: 10.1021/acs.jmedchem.6b01195. Epub 2016 Oct 28. J Med Chem. 2016. PMID: 27726357
Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition.
Ehrmann FR, Stojko J, Metz A, Debaene F, Barandun LJ, Heine A, Diederich F, Cianférani S, Reuter K, Klebe G. Ehrmann FR, et al. Among authors: metz a. PLoS One. 2017 Apr 18;12(4):e0175723. doi: 10.1371/journal.pone.0175723. eCollection 2017. PLoS One. 2017. PMID: 28419165 Free PMC article.
Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Müller J, Kirschner RA, Berndt JP, Wulsdorf T, Metz A, Hrdina R, Schreiner PR, Geyer A, Klebe G. Müller J, et al. Among authors: metz a. ChemMedChem. 2019 Mar 22;14(6):663-672. doi: 10.1002/cmdc.201800779. Epub 2019 Feb 19. ChemMedChem. 2019. PMID: 30677243
384 results