1xuc

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{{STRUCTURE_1xuc| PDB=1xuc | SCENE= }}
{{STRUCTURE_1xuc| PDB=1xuc | SCENE= }}
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'''Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor'''
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===Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor===
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==Overview==
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Inhibitors for matrix metalloproteinases (MMPs) are under investigation for the treatment of cancer, arthritis, and cardiovascular disease. Here, we report a class of highly selective MMP-13 inhibitors (pyrimidine dicarboxamides) that exhibit no detectable activity against other MMPs. The high-resolution X-ray structures of three molecules of this series bound to MMP-13 reveal a novel binding mode characterized by the absence of interactions between the inhibitors and the catalytic zinc. The inhibitors bind in the S1' pocket and extend into an additional S1' side pocket, which is unique to MMP-13. We analyze the determinants for selectivity and describe the rational design of improved compounds with low nanomolar affinity.
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==About this Structure==
==About this Structure==
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[[Category: Matrix metalloproteinase]]
[[Category: Matrix metalloproteinase]]
[[Category: Non-zinc binding inhibitor]]
[[Category: Non-zinc binding inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 15:31:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 15:52:48 2008''

Revision as of 12:52, 28 July 2008

Image:1xuc.png

Template:STRUCTURE 1xuc

Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor

Template:ABSTRACT PUBMED 15734645

About this Structure

1XUC is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural basis for the highly selective inhibition of MMP-13., Engel CK, Pirard B, Schimanski S, Kirsch R, Habermann J, Klingler O, Schlotte V, Weithmann KU, Wendt KU, Chem Biol. 2005 Feb;12(2):181-9. PMID:15734645

Page seeded by OCA on Mon Jul 28 15:52:48 2008

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