2a8h
From Proteopedia
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|PDB= 2a8h |SIZE=350|CAPTION= <scene name='initialview01'>2a8h</scene>, resolution 2.30Å | |PDB= 2a8h |SIZE=350|CAPTION= <scene name='initialview01'>2a8h</scene>, resolution 2.30Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=4NH:4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE'>4NH</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= ADAM17, CSVP, TACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= ADAM17, CSVP, TACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1bkc|1bkc]], [[1zxc|1ZXC]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2a8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a8h OCA], [http://www.ebi.ac.uk/pdbsum/2a8h PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2a8h RCSB]</span> | ||
}} | }} | ||
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[[Category: Xu, J.]] | [[Category: Xu, J.]] | ||
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
| - | [[Category: 4NH]] | ||
| - | [[Category: ZN]] | ||
[[Category: tace-inhibitor complex]] | [[Category: tace-inhibitor complex]] | ||
[[Category: tace/adam-17]] | [[Category: tace/adam-17]] | ||
[[Category: zn-endopeptidase]] | [[Category: zn-endopeptidase]] | ||
| - | ''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 01:49:14 2008'' |
Revision as of 22:49, 30 March 2008
| |||||||
| , resolution 2.30Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | ADAM17, CSVP, TACE (Homo sapiens) | ||||||
| Activity: | ADAM 17 endopeptidase, with EC number 3.4.24.86 | ||||||
| Related: | 1bkc, 1ZXC
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
Overview
A series of thiomorpholine sulfonamide hydroxamate TACE inhibitors, all bearing propargylic ether P1' groups, was explored. In particular, compound 5h has excellent in vitro potency against isolated TACE enzyme and in cells, oral activity in a model of TNF-alpha production and a collagen-induced arthritis model, was selected as a clinical candidate for the treatment of RA.
About this Structure
2A8H is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates., Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons T, Xu J, Jin G, Barone D, Skotnicki JS, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9. Epub 2006 Jan 19. PMID:16426848
Page seeded by OCA on Mon Mar 31 01:49:14 2008
