1yk7 | pdb_00001yk7
Cathepsin K complexed with a cyanopyrrolidine inhibitor
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| 1yk7, resolution 2.5Å | |||||||||||||
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| Ligands: | NBL | ||||||||||||
| Gene: | CTSK, CTSO, CTSO2 (Homo sapiens) | ||||||||||||
| Activity: | Cathepsin K, with EC number 3.4.22.38 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Overview
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.
Disease
Known disease associated with this structure: Pycnodysostosis OMIM:[601105]
About this Structure
1YK7 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Novel and potent cyclic cyanamide-based cathepsin K inhibitors., Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Tavares FX, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2005 Apr 1;15(7):1815-9. PMID:15780613
Page seeded by OCA on Thu Mar 20 15:23:56 2008
