7NXL

Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110

This is a non-PDB format compatible entry.

Summary for 7NXL

• Entry DOI: 10.2210/pdb7nxl/pdb
• Descriptor: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate, ... (4 entities in total)
• Functional Keywords: hydrolase, complex, activity-based probe, acrylamide inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 24272.39

Authors

Busa, M.,Benysek, J.,Lemke, C.,Gutschow, M.,Mares, M. (deposition date: 2021-03-18, release date: 2021-09-08, Last modification date: 2024-05-01)

• 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; PubMed: 34473502; DOI: 10.1021/acs.jmedchem.1c01178

Experimental method

X-RAY DIFFRACTION (1.8 Å)