2i47: Difference between revisions
New page: left|200px<br /> <applet load="2i47" size="450" color="white" frame="true" align="right" spinBox="true" caption="2i47, resolution 1.9Å" /> '''Crystal structure of... |
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[[Image:2i47.gif|left|200px]]<br /> | [[Image:2i47.gif|left|200px]]<br /><applet load="2i47" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="2i47, resolution 1.9Å" /> | caption="2i47, resolution 1.9Å" /> | ||
'''Crystal structure of catalytic domain of TACE with inhibitor'''<br /> | '''Crystal structure of catalytic domain of TACE with inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
By focusing on the P1 portion of the piperidine beta-sulfone ligands we | By focusing on the P1 portion of the piperidine beta-sulfone ligands we identified a motif that induces selectivity and resulted in a series of TACE inhibitors that demonstrated excellent in vitro potency against isolated TACE enzyme and excellent selectivity over MMPs 1, 2, 9, 13, and 14. | ||
==About this Structure== | ==About this Structure== | ||
2I47 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, INN and KGY as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/ADAM_17_endopeptidase ADAM 17 endopeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.86 3.4.24.86] Full crystallographic information is available from [http:// | 2I47 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=INN:'>INN</scene> and <scene name='pdbligand=KGY:'>KGY</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/ADAM_17_endopeptidase ADAM 17 endopeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.86 3.4.24.86] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2I47 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Condon, J | [[Category: Condon, J S.]] | ||
[[Category: Lovering, F | [[Category: Lovering, F E.]] | ||
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
[[Category: INN]] | [[Category: INN]] | ||
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[[Category: tace/adam-17]] | [[Category: tace/adam-17]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:48:50 2008'' | ||
Revision as of 18:48, 21 February 2008
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Crystal structure of catalytic domain of TACE with inhibitor
OverviewOverview
By focusing on the P1 portion of the piperidine beta-sulfone ligands we identified a motif that induces selectivity and resulted in a series of TACE inhibitors that demonstrated excellent in vitro potency against isolated TACE enzyme and excellent selectivity over MMPs 1, 2, 9, 13, and 14.
About this StructureAbout this Structure
2I47 is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as ADAM 17 endopeptidase, with EC number 3.4.24.86 Full crystallographic information is available from OCA.
ReferenceReference
Identification of potent and selective TACE inhibitors via the S1 pocket., Condon JS, Joseph-McCarthy D, Levin JI, Lombart HG, Lovering FE, Sun L, Wang W, Xu W, Zhang Y, Bioorg Med Chem Lett. 2007 Jan 1;17(1):34-9. Epub 2006 Oct 5. PMID:17064892
Page seeded by OCA on Thu Feb 21 17:48:50 2008