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5HCT

Endothiapepsin in complex with biacylhydrazone

Summary for 5HCT
Entry DOI10.2210/pdb5hct/pdb
Related3PGI
DescriptorEndothiapepsin, DIMETHYL SULFOXIDE, GLYCEROL, ... (8 entities in total)
Functional Keywordshydrolase, inhibition
Biological sourceCryphonectria parasitica (Chesnut blight fungus)
Total number of polymer chains1
Total formula weight44483.03
Authors
Radeva, N.,Heine, A.,Klebe, G. (deposition date: 2016-01-04, release date: 2016-07-20)
Primary citationMondal, M.,Radeva, N.,Fanlo-Virgos, H.,Otto, S.,Klebe, G.,Hirsch, A.K.
Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Angew.Chem.Int.Ed.Engl., 55:9422-9426, 2016
Cited by
PubMed: 27400756
DOI: 10.1002/anie.201603074
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.36 Å)
Structure validation

217705

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