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Structure paper

TitleDioxo-triazines as a novel series of cathepsin K inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1488-1490, Year 2010
Publish dateDec 1, 2009 (structure data deposition date)
AuthorsRankovic, Z. / Cai, J. / Fradera, X. / Dempster, M. / Mistry, A. / Mitchell, A. / Long, C. / Hamilton, E. / King, A. / Boucharens, S. ...Rankovic, Z. / Cai, J. / Fradera, X. / Dempster, M. / Mistry, A. / Mitchell, A. / Long, C. / Hamilton, E. / King, A. / Boucharens, S. / Jamieson, C. / Gillespie, J. / Cumming, I. / Uitdehaag, J. / van Zeeland, M.
External linksBioorg. Med. Chem. Lett. / PubMed:20153187
MethodsX-ray diffraction
Resolution2.02 Å
Structure data

PDB-3kwb:
Structure of CatK covalently bound to a dioxo-triazine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-ORH:
3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / covalent bond / Cys 25 / thioimidate / Disease mutation / Disulfide bond / Glycoprotein / Lysosome / Protease / Thiol protease / Zymogen

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