1yk7

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Image:1yk7.gif


PDB ID 1yk7

Drag the structure with the mouse to rotate
, resolution 2.5Å
Ligands:
Gene: CTSK, CTSO, CTSO2 (Homo sapiens)
Activity: Cathepsin K, with EC number 3.4.22.38
Coordinates: save as pdb, mmCIF, xml



Cathepsin K complexed with a cyanopyrrolidine inhibitor


Contents

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

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