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Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Huang CY, Aumonier S, Engilberge S, Eris D, Smith KML, Leonarski F, Wojdyla JA, Beale JH, Buntschu D, Pauluhn A, Sharpe ME, Metz A, Olieric V, Wang M. Huang CY, et al. Among authors: metz a. Acta Crystallogr D Struct Biol. 2022 Aug 1;78(Pt 8):964-974. doi: 10.1107/S205979832200612X. Epub 2022 Jul 27. Acta Crystallogr D Struct Biol. 2022. PMID: 35916221 Free PMC article.
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.
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Huang CY, Metz A, Lange R, Artico N, Potot C, Hazemann J, Müller M, Dos Santos M, Chambovey A, Ritz D, Eris D, Meyer S, Bourquin G, Sharpe M, Mac Sweeney A. Huang CY, et al. Among authors: metz a. Acta Crystallogr D Struct Biol. 2024 Feb 1;80(Pt 2):123-136. doi: 10.1107/S2059798324000329. Epub 2024 Jan 30. Acta Crystallogr D Struct Biol. 2024. PMID: 38289714 Free PMC article.
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
367 results