1YK7

Cathepsin K complexed with a cyanopyrrolidine inhibitor

Summary for 1YK7

• Entry DOI: 10.2210/pdb1yk7/pdb
• Descriptor: Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE (3 entities in total)
• Functional Keywords: cathepsin, catk, cysteine, protease, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P43235
• Total number of polymer chains: 1
• Total formula weight: 23881.92

Authors

Barrett, D.G.,Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Shewchuk, L.M.,Tavares, F.X.,Willard, D.H.,Wright, L.L. (deposition date: 2005-01-17, release date: 2005-03-22, Last modification date: 2023-08-23)

Primary citation

Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Shewchuk, L.M.,Tavares, F.X.,Willard, D.H.,Wright, L.L.
Novel and potent cyclic cyanamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 15:1815-1819, 2005

PubMed Abstract: Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition.

PubMed: 15780613
DOI: 10.1016/j.bmcl.2005.02.033

Experimental method

X-RAY DIFFRACTION (2.5 Å)