1YK8

Cathepsin K complexed with a cyanamide-based inhibitor

Summary for 1YK8

• Entry DOI: 10.2210/pdb1yk8/pdb
• Descriptor: Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE (3 entities in total)
• Functional Keywords: catk, cathepsin, cysteine, protease, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P43235
• Total number of polymer chains: 1
• Total formula weight: 23694.68

Authors

Barrett, D.G.,Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Payne, J.A.,Shewchuk, L.M.,Willard, D.H.,Wright, L.L. (deposition date: 2005-01-17, release date: 2005-07-19, Last modification date: 2023-08-23)

Primary citation

Barrett, D.G.,Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Payne, J.A.,Shewchuk, L.M.,Willard, D.H.,Wright, L.L.
Acyclic cyanamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15:3039-3043, 2005

PubMed Abstract: Conversion of the proline-derived cyanamide lead to an acyclic cyanamide capable of forming an additional hydrogen bond with cathepsin K resulted in a large increase in inhibitory activity. An X-ray structure of a co-crystal of a cyanamide with cathepsin K confirmed the enzyme interaction. Furthermore, a representative acyclic cyanamide inhibitor 6r was able to attenuate bone resorption in the rat calvarial model.

PubMed: 15896958
DOI: 10.1016/j.bmcl.2005.04.032

Experimental method

X-RAY DIFFRACTION (2.6 Å)