1EPP

ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)

Summary for 1EPP
Related1EPQ
Related PRD IDPRD_000392
DescriptorENDOTHIAPEPSIN, SULFATE ION, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, ... (4 entities in total)
Functional Keywordshydrolase-hydrolase inhibitor complex, acid proteinase, hydrolase/hydrolase inhibitor
Biological sourceCryphonectria parasitica (chestnut blight fungus)
Total number of polymer chains1
Total formula weight34705.95
Authors
Wallace, B.A.,Cooper, J.B.,Blundell, T.L. (deposition date: 1994-07-27, release date: 1994-12-20, Last modification date: 2017-11-29)
Primary citationBadasso, M.,Cooper, J.B.,Dealwis, C.,Hamilton, H.W.,Hodges, J.C.,Kaltenbronn, J.S.,Lowther, W.T.,Lunney, E.A.,Repine, J.T.,Wallace, B.A.
Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36:3809-3820, 1993
PubMed: 8254610
DOI: 110.1021/jm00076a008
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.9 Å)
Structure validation
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PDB entries from 2021-06-16