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1d5j

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[[Image:1d5j.gif|left|200px]]
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{{Seed}}
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[[Image:1d5j.png|left|200px]]
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{{STRUCTURE_1d5j| PDB=1d5j | SCENE= }}
{{STRUCTURE_1d5j| PDB=1d5j | SCENE= }}
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'''CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.'''
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===CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.===
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==Overview==
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The synthesis and enzyme inhibition data for a series of thiazine- and thiazepine-based matrix metalloproteinase (MMP) inhibitors are described. The thiazine- and thiazepine-based inhibitors were discovered by optimization of hetererocyclic sulfonamide-based inhibitors. The most potent series of inhibitors was obtained by modification of the amino acid D-penicillamine. This amino acid provides a gem-dimethyl group on the thiazine or thiazepine ring which has a dramatic effect on the in vitro potency of this series. In particular, the sulfide 4a and the sulfone 5a were potent, broad-spectrum inhibitors of the MMPs with IC(50)'s against MMP-1 of 0.8 and 1.9 nM, respectively. The binding mode of this novel thiazepine-based series of MMP inhibitors was established based on X-ray crystallography of the complex of stromelysin and 4a.
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The line below this paragraph, {{ABSTRACT_PUBMED_10579818}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 10579818 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10579818}}
==About this Structure==
==About this Structure==
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[[Category: Mixed alpha beta structure]]
[[Category: Mixed alpha beta structure]]
[[Category: Zinc protease]]
[[Category: Zinc protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 13:28:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 22:28:05 2008''

Revision as of 19:28, 30 June 2008

Image:1d5j.png

Template:STRUCTURE 1d5j

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.

Template:ABSTRACT PUBMED 10579818

About this Structure

1D5J is a Single protein structure. Full crystallographic information is available from OCA.

Reference

Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors., Almstead NG, Bradley RS, Pikul S, De B, Natchus MG, Taiwo YO, Gu F, Williams LE, Hynd BA, Janusz MJ, Dunaway CM, Mieling GE, J Med Chem. 1999 Nov 4;42(22):4547-62. PMID:10579818

Page seeded by OCA on Mon Jun 30 22:28:05 2008

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