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TitleIdentification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 6298-6307, Year 2006
Publish dateJun 2, 2006 (structure data deposition date)
AuthorsPatterson, A.W. / Wood, W.J. / Hornsby, M. / Lesley, S. / Spraggon, G. / Ellman, J.A.
External linksJ. Med. Chem. / PubMed:17034136
MethodsX-ray diffraction
Resolution1.5 - 1.9 Å
Structure data

PDB-2h7j:
Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-2hxz:
Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-H7J:
N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE

ChemComp-P15:
2,5,8,11,14,17-HEXAOXANONADECAN-19-OL

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsHYDROLASE / CATHEPSIN S / Nonpeptidic / chloromethylketone / substrate activity screening

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