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1ztq

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[[Image:1ztq.gif|left|200px]]
[[Image:1ztq.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00&Aring;
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The line below this paragraph, containing "STRUCTURE_1ztq", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=033:N-({4&#39;-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1&#39;-BIPHENYL-4-YL}SULFONYL)-L-VALINE'>033</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE= MMP13 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1ztq| PDB=1ztq | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ztq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ztq OCA], [http://www.ebi.ac.uk/pdbsum/1ztq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ztq RCSB]</span>
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}}
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'''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''
'''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''
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[[Category: Wu, J.]]
[[Category: Wu, J.]]
[[Category: Xu, Z B.]]
[[Category: Xu, Z B.]]
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[[Category: collagenase]]
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[[Category: Collagenase]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: hydrophobic s1s']]
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[[Category: Hydrophobic s1s']]
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[[Category: hydroxamate]]
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[[Category: Hydroxamate]]
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[[Category: metalloprotease]]
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[[Category: Metalloprotease]]
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[[Category: mmp-13]]
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[[Category: Mmp-13]]
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[[Category: mmp]]
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[[Category: Mmp]]
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[[Category: p1' group]]
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[[Category: P1' group]]
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[[Category: zinc chelator]]
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[[Category: Zinc chelator]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 18:03:43 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:41:31 2008''
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Revision as of 15:03, 3 May 2008

Image:1ztq.gif

Template:STRUCTURE 1ztq

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 Page seeded by OCA on Sat May 3 18:03:43 2008

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OCA

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