7QBO

Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303

Summary for 7QBO

Entry DOI	10.2210/pdb7qbo/pdb
Descriptor	Cathepsin K, (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, ... (7 entities in total)
Functional Keywords	cathepsin k, protease inhibitor, cyanohydrazide warhead, azadipeptide nitrile, hydrolase
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	33276.28
Authors	Benysek, J.,Busa, M.,Mares, M. (deposition date: 2021-11-19, release date: 2022-01-26, Last modification date: 2024-01-31)
Primary citation	Benysek, J.,Busa, M.,Rubesova, P.,Fanfrlik, J.,Lepsik, M.,Brynda, J.,Matouskova, Z.,Bartz, U.,Horn, M.,Gutschow, M.,Mares, M. Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37:515-526, 2022 Cited by PubMed: 35144520 DOI: 10.1080/14756366.2021.2024527 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation