2i47
From Proteopedia
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|PDB= 2i47 |SIZE=350|CAPTION= <scene name='initialview01'>2i47</scene>, resolution 1.9Å | |PDB= 2i47 |SIZE=350|CAPTION= <scene name='initialview01'>2i47</scene>, resolution 1.9Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |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> |
| - | |ACTIVITY= [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] | + | |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> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2a8h|2A8H]], [[1bkc|1BKC]] | ||
| + | |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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[[Category: Lovering, F E.]] | [[Category: Lovering, F E.]] | ||
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
| - | [[Category: INN]] | ||
| - | [[Category: KGY]] | ||
| - | [[Category: ZN]] | ||
[[Category: tace-inhibitor complex]] | [[Category: tace-inhibitor complex]] | ||
[[Category: tace/adam-17]] | [[Category: tace/adam-17]] | ||
| - | ''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 03:39:23 2008'' |
Revision as of 00:39, 31 March 2008
| |||||||
| , resolution 1.9Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | ADAM 17 endopeptidase, with EC number 3.4.24.86 | ||||||
| Related: | 2A8H, 1BKC
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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 Mon Mar 31 03:39:23 2008
