3KW9

X-ray structure of Cathepsin K covalently bound to a triazine ligand

Summary for 3KW9

Entry DOI	10.2210/pdb3kw9/pdb
Related	3KWB
Descriptor	Cathepsin K, 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, trifluoroacetic acid, ... (4 entities in total)
Functional Keywords	cysteine, thioimidate, disulfide bond, cys protease, inhibitor, non-peptide, hydrolase, protease, thiol protease, zymogen
Biological source	Homo sapiens (human)
Cellular location	Lysosome: P43235
Total number of polymer chains	1
Total formula weight	23924.87
Authors	Uitdehaag, J.C.M.,van Zeeland, M. (deposition date: 2009-12-01, release date: 2010-03-02, Last modification date: 2017-11-01)
Primary citation	Rankovic, Z.,Cai, J.,Kerr, J.,Fradera, X.,Robinson, J.,Mistry, A.,Hamilton, E.,McGarry, G.,Andrews, F.,Caulfield, W.,Cumming, I.,Dempster, M.,Waller, J.,Scullion, P.,Martin, I.,Mitchell, A.,Long, C.,Baugh, M.,Westwood, P.,Kinghorn, E.,Bruin, J.,Hamilton, W.,Uitdehaag, J.,van Zeeland, M.,Potin, D.,Saniere, L.,Fouquet, A.,Chevallier, F.,Deronzier, H.,Dorleans, C.,Nicolai, E. Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 20:1524-1527, 2010 Cited by PubMed: 20149657 DOI: 10.1016/j.bmcl.2010.01.100 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation