2i47
From Proteopedia
(Difference between revisions)
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| - | [[Image:2i47.gif|left|200px]] | + | [[Image:2i47.gif|left|200px]] |
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| - | '''Crystal structure of catalytic domain of TACE with inhibitor''' | + | {{Structure |
| + | |PDB= 2i47 |SIZE=350|CAPTION= <scene name='initialview01'>2i47</scene>, resolution 1.9Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=INN:3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-4-METHYL+PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-L-ALANINE'>INN</scene> and <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> | ||
| + | |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= | ||
| + | }} | ||
| + | |||
| + | '''Crystal structure of catalytic domain of TACE with inhibitor''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2I47 is a [ | + | 2I47 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=2I47 OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17064892 17064892] |
[[Category: ADAM 17 endopeptidase]] | [[Category: ADAM 17 endopeptidase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: tace/adam-17]] | [[Category: tace/adam-17]] | ||
| - | ''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 17:25:10 2008'' |
Revision as of 15:25, 20 March 2008
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| , resolution 1.9Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , and | ||||||
| Activity: | ADAM 17 endopeptidase, with EC number 3.4.24.86 | ||||||
| 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 Thu Mar 20 17:25:10 2008
