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2i47

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(New page: 200px<br /> <applet load="2i47" size="450" color="white" frame="true" align="right" spinBox="true" caption="2i47, resolution 1.9&Aring;" /> '''Crystal structure of...)
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Revision as of 20:34, 12 November 2007

Image:2i47.gif

2i47, resolution 1.9Å

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Crystal structure of catalytic domain of TACE with inhibitor

Overview

By focusing on the P1 portion of the piperidine beta-sulfone ligands we, identified a motif that induces selectivity and resulted in a series of, TACE inhibitors that demonstrated excellent in vitro potency against, isolated TACE enzyme and excellent selectivity over MMPs 1, 2, 9, 13, and, 14.

About this Structure

2I47 is a Single protein structure of sequence from Homo sapiens with ZN, INN and KGY as ligands. Active as ADAM 17 endopeptidase, with EC number 3.4.24.86 Full crystallographic information is available from OCA.

Reference

Identification of potent and selective TACE inhibitors via the S1 pocket., Condon JS, Joseph-McCarthy D, Levin JI, Lombart HG, Lovering FE, Sun L, Wang W, Xu W, Zhang Y, Bioorg Med Chem Lett. 2007 Jan 1;17(1):34-9. Epub 2006 Oct 5. PMID:17064892

Page seeded by OCA on Mon Nov 12 22:40:37 2007

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