1U9X

Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABJ688

Summary for 1U9X

Entry DOI	10.2210/pdb1u9x/pdb
Related	1ATK 1MEM 1U9V 1U9W
Descriptor	Cathepsin K, 9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE (3 entities in total)
Functional Keywords	hydrolase, sulfhydryl proteinase
Biological source	Homo sapiens (human)
Cellular location	Lysosome: P43235
Total number of polymer chains	1
Total formula weight	24198.30
Authors	Cowan-Jacob, S.W. (deposition date: 2004-08-11, release date: 2005-08-11, Last modification date: 2017-10-11)
Primary citation	Altmann, E.,Cowan-Jacob, S.W.,Missbach, M. Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K J.Med.Chem., 47:5833-5836, 2004 Cited by PubMed Abstract: Starting from the high-throughput screening hit 1a, novel cathepsin K inhibitors have been developed based on a purine scaffold. High-resolution X-ray structures of several derivatives have revealed the binding mode of these unique cysteine protease inhibitors. PubMed: 15537340 DOI: 10.1021/jm0493111 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation