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1ztq
From Proteopedia
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|PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00Å | |PDB= 1ztq |SIZE=350|CAPTION= <scene name='initialview01'>1ztq</scene>, resolution 2.00Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <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> |
|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]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Wu, J.]] | [[Category: Wu, J.]] | ||
[[Category: Xu, Z B.]] | [[Category: Xu, Z B.]] | ||
| - | [[Category: 033]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: ZN]] | ||
[[Category: collagenase]] | [[Category: collagenase]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| Line 45: | Line 45: | ||
[[Category: zinc chelator]] | [[Category: zinc chelator]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:41:31 2008'' |
Revision as of 22:41, 30 March 2008
| |||||||
| , resolution 2.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | MMP13 (Homo sapiens) | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Mon Mar 31 01:41:31 2008
Categories: Homo sapiens | Single protein | Collins, E. | Du, X. | Geck, M. | Hotchandani, R. | III, T S.Rush. | Levin, J I. | Lovering, F. | Skotnicki, J. | Wu, J. | Xu, Z B. | Collagenase | Hydrolase | Hydrophobic s1s' | Hydroxamate | Metalloprotease | Mmp-13 | Mmp | P1' group | Zinc chelator
