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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: wang x. 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.
High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Schiebel J, Krimmer SG, Röwer K, Knörlein A, Wang X, Park AY, Stieler M, Ehrmann FR, Fu K, Radeva N, Krug M, Huschmann FU, Glöckner S, Weiss MS, Mueller U, Klebe G, Heine A. Schiebel J, et al. Among authors: wang x. Structure. 2016 Aug 2;24(8):1398-1409. doi: 10.1016/j.str.2016.06.010. Epub 2016 Jul 21. Structure. 2016. PMID: 27452405 Free 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: wang x. 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
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