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Structure paper

TitleThe Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 59, Page 978-, Year 2003
Publish dateFeb 12, 2003 (structure data deposition date)
AuthorsCoates, L. / Erskine, P.T. / Mall, S. / Williams, P.A. / Gill, R.S. / Wood, S.P. / Cooper, J.B.
External linksActa Crystallogr. ,Sect. D / PubMed:12777758
MethodsX-ray diffraction
Resolution1.37 Å
Structure data

PDB-1od1:
Endothiapepsin PD135,040 complex
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-0QS:
N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

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

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