2i47: Difference between revisions
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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: 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 03:39, 31 March 2008
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| , resolution 1.9Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | ADAM 17 endopeptidase, with EC number 3.4.24.86 | ||||||
| Related: | 2A8H, 1BKC
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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 Mon Mar 31 03:39:23 2008