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1ztq

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[[Image:1ztq.gif|left|200px]]<br /><applet load="1ztq" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ztq.gif|left|200px]]
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caption="1ztq, resolution 2.00&Aring;" />
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'''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''<br />
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{{Structure
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|PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00&Aring;
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|SITE=
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|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>
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|ACTIVITY=
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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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'''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1ZTQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=033:'>033</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZTQ OCA].
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1ZTQ 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=1ZTQ OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16005220 16005220]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16005220 16005220]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: collagenase]]
[[Category: collagenase]]
[[Category: hydrolase]]
[[Category: hydrolase]]
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[[Category: hydrophobic s1']]
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[[Category: hydrophobic s1s']]
[[Category: hydroxamate]]
[[Category: hydroxamate]]
[[Category: metalloprotease]]
[[Category: metalloprotease]]
[[Category: mmp-13]]
[[Category: mmp-13]]
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[[Category: mmps]]
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[[Category: mmp]]
[[Category: p1' group]]
[[Category: p1' group]]
[[Category: zinc chelator]]
[[Category: zinc chelator]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:18:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:39:49 2008''

Revision as of 13:39, 20 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

Page seeded by OCA on Thu Mar 20 15:39:49 2008

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