1tu6

From Proteopedia

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spinqualitylabelsall models 1tu6, resolution 1.75Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Cathepsin K complexed with a ketoamide inhibitor

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

A series of ketoamides were synthesized and evaluated for inhibitory, activity against cathepsin K. Exploration of the interactions between, achiral P(2) substituents and the cysteine protease based on molecular, modelling suggestions resulted in potent cathepsin K inhibitors that, demonstrated high selectivity versus cathepsins B, H, and L. Subsequent, modifications of the P(3), P(1), and P(1') moieties afforded orally, bioavailable inhibitors.

Disease

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

About this Structure

1TU6 is a Single protein structure of sequence from Homo sapiens with SO4 and FSP as ligands. Active as Cathepsin K, with EC number 3.4.22.38 Full crystallographic information is available from OCA.

Reference

Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions., Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Shewchuk LM, Wells-Knecht KJ, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2004 Oct 4;14(19):4897-902. PMID:15341947

Page seeded by OCA on Mon Nov 12 19:28:13 2007