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4KUP

Endothiapepsin in complex with 20mM acylhydrazone inhibitor

Summary for 4KUP
Entry DOI10.2210/pdb4kup/pdb
Related3T7P 4LBT 4LHH
DescriptorEndothiapepsin, (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywordshydrolase, aspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceCryphonectria parasitica (Chesnut blight fungus)
Total number of polymer chains1
Total formula weight35328.82
Authors
Radeva, N.,Heine, A.,Klebe, G. (deposition date: 2013-05-22, release date: 2014-04-02, Last modification date: 2023-09-20)
Primary citationMondal, M.,Radeva, N.,Koster, H.,Park, A.,Potamitis, C.,Zervou, M.,Klebe, G.,Hirsch, A.K.
Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53:3259-3263, 2014
Cited by
PubMed: 24532096
DOI: 10.1002/anie.201309682
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.311 Å)
Structure validation

217705

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