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Structure paper

TitleEndothiapepsin in Complex with Thiophen based Inhibitors
Journal, issue, pagesTo be Published
Publish dateJun 12, 2013 (structure data deposition date)
AuthorsKuhnert, M. / Park, A. / Heine, A. / Klebe, G. / Diederich, W.E.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.12 - 1.37 Å
Structure data

PDB-4l6b:
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-4lap:
Endothiapepsin in complex with thiophen-based inhibitor SAP114
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-1VS:
N-ethyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1VT:
N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ASPARTATE PROTEASE / Inhibitor Complex / HYDROLASE-HYDROLASE INHIBITOR complex

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