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TitleCharacterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 2693-2699, Year 2007
Publish dateJan 26, 2007 (structure data deposition date)
AuthorsInagaki, H. / Tsuruoka, H. / Hornsby, M. / Lesley, S.A. / Spraggon, G. / Ellman, J.A.
External linksJ. Med. Chem. / PubMed:17469812
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-2op3:
The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-TF5:
2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL

ChemComp-PEU:
2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Cathepsin S / NONpeptidic / Substrate Activity Screening

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