1xuc
From Proteopedia
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| - | [[Image:1xuc.jpg|left|200px]] | + | [[Image:1xuc.jpg|left|200px]] |
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| - | '''Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor''' | + | {{Structure |
| + | |PDB= 1xuc |SIZE=350|CAPTION= <scene name='initialview01'>1xuc</scene>, resolution 1.700Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=PB3:N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE'>PB3</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1XUC is a [ | + | 1XUC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XUC OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/15734645 15734645] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: non-zinc binding inhibitor]] | [[Category: non-zinc binding inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:14:44 2008'' |
Revision as of 13:14, 20 March 2008
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| , resolution 1.700Å | |||||||
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| Ligands: | , and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
Overview
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.
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 Thu Mar 20 15:14:44 2008
