3KWZ

Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor

Summary for 3KWZ

• Entry DOI: 10.2210/pdb3kwz/pdb
• Related: 3KX1
• Descriptor: Cathepsin K, SULFATE ION, 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, ... (4 entities in total)
• Functional Keywords: cathepsin k, enzyme inhibitor, covalent reversible inhibitor, disease mutation, disulfide bond, glycoprotein, hydrolase, lysosome, protease, thiol protease, zymogen
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P43235
• Total number of polymer chains: 1
• Total formula weight: 24474.26

Authors

Fradera, X.,Uitdehaag, J.C.M.,van Zeeland, M. (deposition date: 2009-12-02, release date: 2010-03-02, Last modification date: 2024-04-03)

• 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; PubMed: 20149657; DOI: 10.1016/j.bmcl.2010.01.100

Experimental method

X-RAY DIFFRACTION (1.49 Å)