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2i47

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[[Image:2i47.gif|left|200px]]
[[Image:2i47.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2i47 |SIZE=350|CAPTION= <scene name='initialview01'>2i47</scene>, resolution 1.9&Aring;
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The line below this paragraph, containing "STRUCTURE_2i47", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=INN:3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-4-METHYL+PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-L-ALANINE'>INN</scene>, <scene name='pdbligand=KGY:4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE'>KGY</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_2i47| PDB=2i47 | SCENE= }}
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|RELATEDENTRY=[[2a8h|2A8H]], [[1bkc|1BKC]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2i47 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2i47 OCA], [http://www.ebi.ac.uk/pdbsum/2i47 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2i47 RCSB]</span>
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}}
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'''Crystal structure of catalytic domain of TACE with inhibitor'''
'''Crystal structure of catalytic domain of TACE with inhibitor'''
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[[Category: Lovering, F E.]]
[[Category: Lovering, F E.]]
[[Category: Xu, W.]]
[[Category: Xu, W.]]
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[[Category: tace-inhibitor complex]]
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[[Category: Tace-inhibitor complex]]
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[[Category: tace/adam-17]]
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[[Category: Tace/adam-17]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:02:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:39:23 2008''
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Revision as of 04:02, 4 May 2008

Image:2i47.gif

Template:STRUCTURE 2i47

Crystal structure of catalytic domain of TACE with inhibitor


Overview

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

2I47 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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 Sun May 4 07:02:50 2008

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OCA

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