2oi0
From Proteopedia
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| - | [[Image:2oi0.jpg|left|200px]] | + | [[Image:2oi0.jpg|left|200px]] |
| - | + | ||
| - | '''Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide''' | + | {{Structure |
| + | |PDB= 2oi0 |SIZE=350|CAPTION= <scene name='initialview01'>2oi0</scene>, resolution 2.000Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=283:(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL'>283</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] | ||
| + | |GENE= TACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2OI0 is a [ | + | 2OI0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OI0 OCA]. |
==Reference== | ==Reference== | ||
| - | Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides., Govinda Rao B, Bandarage UK, Wang T, Come JH, Perola E, Wei Y, Tian SK, Saunders JO, Bioorg Med Chem Lett. 2007 Apr 15;17(8):2250-3. Epub 2007 Jan 26. PMID:[http:// | + | Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides., Govinda Rao B, Bandarage UK, Wang T, Come JH, Perola E, Wei Y, Tian SK, Saunders JO, Bioorg Med Chem Lett. 2007 Apr 15;17(8):2250-3. Epub 2007 Jan 26. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17289381 17289381] |
[[Category: ADAM 17 endopeptidase]] | [[Category: ADAM 17 endopeptidase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: aryl-sulfonamide]] | [[Category: aryl-sulfonamide]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | [[Category: tace | + | [[Category: tace inhibitor]] |
[[Category: tnf-a coverting enzyme]] | [[Category: tnf-a coverting enzyme]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:00:04 2008'' |
Revision as of 16:00, 20 March 2008
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| , resolution 2.000Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | and | ||||||
| Gene: | TACE (Homo sapiens) | ||||||
| Activity: | ADAM 17 endopeptidase, with EC number 3.4.24.86 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide
Overview
A series of potent thiol-containing aryl sulfonamide TACE inhibitors was designed and synthesized. The SAR and MMP selectivity of the series were investigated. In particular, compound 4b has shown excellent in vitro potency against the isolated TACE enzyme and good selectivity over MMP-2, -7, -8, -9, and -13. The X-ray structure of 4b bound to TACE was obtained.
About this Structure
2OI0 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides., Govinda Rao B, Bandarage UK, Wang T, Come JH, Perola E, Wei Y, Tian SK, Saunders JO, Bioorg Med Chem Lett. 2007 Apr 15;17(8):2250-3. Epub 2007 Jan 26. PMID:17289381
Page seeded by OCA on Thu Mar 20 18:00:04 2008
