7NXM

Structure of human cathepsin K in complex with the selective activity-based probe Gu3416

Summary for 7NXM

Entry DOI	10.2210/pdb7nxm/pdb
Descriptor	Cathepsin K, SULFATE ION, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, ... (4 entities in total)
Functional Keywords	hydrolase, inhibitor, complex, activity-based probe, acrylamide inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	24299.46
Authors	Busa, M.,Benysek, J.,Lemke, C.,Gutschow, M.,Mares, M. (deposition date: 2021-03-18, release date: 2021-09-08, Last modification date: 2024-01-31)
Primary citation	Lemke, C.,Benysek, J.,Brajtenbach, D.,Breuer, C.,Jilkova, A.,Horn, M.,Busa, M.,Ulrychova, L.,Illies, A.,Kubatzky, K.F.,Bartz, U.,Mares, M.,Gutschow, M. An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64:13793-13806, 2021 Cited by PubMed: 34473502 DOI: 10.1021/acs.jmedchem.1c01178 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.72 Å)

Structure validation