1ztq

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(New page: 200px<br /> <applet load="1ztq" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ztq, resolution 2.00&Aring;" /> '''Crystal structure o...)
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[[Image:1ztq.gif|left|200px]]<br />
 
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<applet load="1ztq" size="450" color="white" frame="true" align="right" spinBox="true"
 
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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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==Overview==
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==Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033==
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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.
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<StructureSection load='1ztq' size='340' side='right'caption='[[1ztq]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1ztq]] is a 4 chain structure with sequence from [https://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]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZTQ FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=033:N-({4-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1-BIPHENYL-4-YL}SULFONYL)-L-VALINE'>033</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ztq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ztq OCA], [https://pdbe.org/1ztq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ztq RCSB], [https://www.ebi.ac.uk/pdbsum/1ztq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ztq ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/MMP13_HUMAN MMP13_HUMAN] Defects in MMP13 are the cause of spondyloepimetaphyseal dysplasia Missouri type (SEMD-MO) [MIM:[https://omim.org/entry/602111 602111]. A bone disease characterized by moderate to severe metaphyseal changes, mild epiphyseal involvement, rhizomelic shortening of the lower limbs with bowing of the femora and/or tibiae, coxa vara, genu varum and pear-shaped vertebrae in childhood. Epimetaphyseal changes improve with age.<ref>PMID:16167086</ref> Defects in MMP13 are the cause of metaphyseal anadysplasia type 1 (MANDP1) [MIM:[https://omim.org/entry/602111 602111]. Metaphyseal anadysplasia consists of an abnormal bone development characterized by severe skeletal changes that, in contrast with the progressive course of most other skeletal dysplasias, resolve spontaneously with age. Clinical characteristics are evident from the first months of life and include slight shortness of stature and a mild varus deformity of the legs. Patients attain a normal stature in adolescence and show improvement or complete resolution of varus deformity of the legs and rhizomelic micromelia.<ref>PMID:19615667</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/MMP13_HUMAN MMP13_HUMAN] Degrades collagen type I. Does not act on gelatin or casein. Could have a role in tumoral process.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zt/1ztq_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ztq ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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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 ZN, CA and 033 as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1ZTQ OCA].
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*[[Matrix metalloproteinase 3D structures|Matrix metalloproteinase 3D structures]]
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== References ==
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==Reference==
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<references/>
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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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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Collins, E.]]
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[[Category: Collins E]]
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[[Category: Du, X.]]
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[[Category: Du X]]
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[[Category: Geck, M.]]
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[[Category: Geck M]]
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[[Category: Hotchandani, R.]]
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[[Category: Hotchandani R]]
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[[Category: III, T.S.Rush.]]
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[[Category: Levin JI]]
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[[Category: Levin, J.I.]]
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[[Category: Lovering F]]
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[[Category: Lovering, F.]]
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[[Category: Rush III TS]]
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[[Category: Skotnicki, J.]]
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[[Category: Skotnicki J]]
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[[Category: Wu, J.]]
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[[Category: Wu J]]
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[[Category: Xu, Z.B.]]
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[[Category: Xu ZB]]
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[[Category: 033]]
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[[Category: CA]]
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[[Category: ZN]]
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[[Category: collagenase]]
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[[Category: hydrolase]]
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[[Category: hydrophobic s1']]
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[[Category: hydroxamate]]
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[[Category: metalloprotease]]
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[[Category: mmp-13]]
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[[Category: mmps]]
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[[Category: p1' group]]
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[[Category: zinc chelator]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 20:41:23 2007''
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Current revision

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

PDB ID 1ztq

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