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5R22

PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free

Summary for 5R22
Entry DOI10.2210/pdb5r22/pdb
Group depositionPanDDA analysis of F2X-Entry Screen vs. Endothiapepsin, DMSO-free soaking (G_1002120)
DescriptorEndothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol (3 entities in total)
Functional Keywordshydrolase
Biological sourceCryphonectria parasitica (Chestnut blight fungus)
Total number of polymer chains1
Total formula weight43478.92
Authors
Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. (deposition date: 2020-02-13, release date: 2020-06-03, Last modification date: 2020-07-08)
Primary citationWollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S.
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28:694-706.e5, 2020
Cited by
PubMed: 32413289
DOI: 10.1016/j.str.2020.04.019
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.098 Å)
Structure validation

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