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3KWB

Structure of CatK covalently bound to a dioxo-triazine inhibitor

Summary for 3KWB
Entry DOI10.2210/pdb3kwb/pdb
Related3KW9
DescriptorCathepsin K, 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (3 entities in total)
Functional Keywordscovalent bond, cys 25, thioimidate, disease mutation, disulfide bond, glycoprotein, hydrolase, lysosome, protease, thiol protease, zymogen
Biological sourceHomo sapiens (human)
Cellular locationLysosome: P43235
Total number of polymer chains2
Total formula weight47861.74
Authors
Uitdehaag, J.C.M.,van Zeeland, M. (deposition date: 2009-12-01, release date: 2010-04-07, Last modification date: 2011-07-13)
Primary citationRankovic, 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.
Dioxo-triazines as a novel series of cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20:1488-1490, 2010
Cited by
PubMed: 20153187
DOI: 10.1016/j.bmcl.2010.01.116
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.02 Å)
Structure validation

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