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2bdl

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Revision as of 14:00, 20 March 2008 by OCA (Talk | contribs)
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Image:2bdl.gif


PDB ID 2bdl

Drag the structure with the mouse to rotate
, resolution 2.0Å
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 pyrrolidine ketoamide-based inhibitor


Contents

Overview

Starting from a potent pantolactone ketoamide cathepsin K inhibitor discovered from structural screening, conversion of the lactone scaffold to a pyrrolidine scaffold allowed exploration of the S(3) subsite of cathepsin K. Manipulation of P3 and P1' groups afforded potent inhibitors with drug-like properties.

Disease

Known disease associated with this structure: Pycnodysostosis OMIM:[601105]

About this Structure

2BDL is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors., Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1735-9. Epub 2006 Jan 11. PMID:16376075

Page seeded by OCA on Thu Mar 20 16:00:34 2008

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