1ztq
From Proteopedia
(New page: 200px<br /> <applet load="1ztq" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ztq, resolution 2.00Å" /> '''Crystal structure o...) |
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| - | [[Image:1ztq.gif|left|200px]]<br /> | + | [[Image:1ztq.gif|left|200px]]<br /><applet load="1ztq" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1ztq" size=" | + | |
caption="1ztq, resolution 2.00Å" /> | caption="1ztq, resolution 2.00Å" /> | ||
'''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''<br /> | '''Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A potent, selective series of MMP-13 inhibitors has been derived from a | + | 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== | ==About this Structure== | ||
| - | 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:// | + | 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]. |
==Reference== | ==Reference== | ||
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[[Category: Geck, M.]] | [[Category: Geck, M.]] | ||
[[Category: Hotchandani, R.]] | [[Category: Hotchandani, R.]] | ||
| - | [[Category: III, T | + | [[Category: III, T S.Rush.]] |
| - | [[Category: Levin, J | + | [[Category: Levin, J I.]] |
[[Category: Lovering, F.]] | [[Category: Lovering, F.]] | ||
[[Category: Skotnicki, J.]] | [[Category: Skotnicki, J.]] | ||
[[Category: Wu, J.]] | [[Category: Wu, J.]] | ||
| - | [[Category: Xu, Z | + | [[Category: Xu, Z B.]] |
[[Category: 033]] | [[Category: 033]] | ||
[[Category: CA]] | [[Category: CA]] | ||
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[[Category: zinc chelator]] | [[Category: zinc chelator]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:18:58 2008'' |
Revision as of 14:19, 21 February 2008
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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 with , and as ligands. 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 Feb 21 16:18:58 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. | 033 | CA | ZN | Collagenase | Hydrolase | Hydrophobic s1' | Hydroxamate | Metalloprotease | Mmp-13 | Mmps | P1' group | Zinc chelator
