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Structure paper

TitleAnalyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 36, Page 3809-3820, Year 1993
Publish dateJul 27, 1994 (structure data deposition date)
AuthorsLunney, E.A. / Hamilton, H.W. / Hodges, J.C. / Kaltenbronn, J.S. / Repine, J.T. / Badasso, M. / Cooper, J.B. / Dealwis, C. / Wallace, B.A. / Lowther, W.T.
External linksJ. Med. Chem. / PubMed:8254610
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-1epp:
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1epq:
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-1Z1:
N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide

ChemComp-HOH:
WATER

ChemComp-0QF:
N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / ACID PROTEINASE

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