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1ztq

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|PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00&Aring;
|PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00&Aring;
|SITE=
|SITE=
-
|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=033:N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE'>033</scene>
+
|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=033:N-({4&#39;-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1&#39;-BIPHENYL-4-YL}SULFONYL)-L-VALINE'>033</scene>
|ACTIVITY=
|ACTIVITY=
|GENE= MMP13 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= MMP13 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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[[Category: zinc chelator]]
[[Category: zinc chelator]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:39:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 14:31:23 2008''

Revision as of 12:31, 23 March 2008

Image:1ztq.gif


PDB ID 1ztq

Drag the structure with the mouse to rotate
, resolution 2.00Å
Ligands: , and
Gene: MMP13 (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033


Overview

A potent, selective series of MMP-13 inhibitors has been derived from a weak (3.2 microM) inhibitor that did not bear a zinc chelator. Structure-based drug design strategies were employed to append a Zn-chelating group to one end of the molecule and functionality to enhance selectivity to the other. A compound from this series demonstrated rat oral bioavailability and efficacy in a bovine articular cartilage explant model.

About this Structure

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

Reference

Identification of potent and selective MMP-13 inhibitors., Wu J, Rush TS 3rd, Hotchandani R, Du X, Geck M, Collins E, Xu ZB, Skotnicki J, Levin JI, Lovering FE, Bioorg Med Chem Lett. 2005 Sep 15;15(18):4105-9. PMID:16005220

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