3b92

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|PDB= 3b92 |SIZE=350|CAPTION= <scene name='initialview01'>3b92</scene>, resolution 2.00&Aring;
|PDB= 3b92 |SIZE=350|CAPTION= <scene name='initialview01'>3b92</scene>, resolution 2.00&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=440:'>440</scene>
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|LIGAND= <scene name='pdbligand=440:3-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PROPANE-1-THIOL'>440</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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|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]
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|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=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3b92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b92 OCA], [http://www.ebi.ac.uk/pdbsum/3b92 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3b92 RCSB]</span>
}}
}}
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Wei, Y.]]
[[Category: Wei, Y.]]
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[[Category: 440]]
 
-
[[Category: ZN]]
 
[[Category: alternative splicing]]
[[Category: alternative splicing]]
[[Category: aryl-sulfonamide]]
[[Category: aryl-sulfonamide]]
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:57:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:24:15 2008''

Revision as of 02:24, 31 March 2008

Image:3b92.jpg


PDB ID 3b92

Drag the structure with the mouse to rotate
, resolution 2.00Å
Ligands: ,
Gene: ADAM17, CSVP, TACE (Homo sapiens)
Activity: ADAM 17 endopeptidase, with EC number 3.4.24.86
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones


Overview

A series of potent thiol-containing aryl sulfone TACE inhibitors were designed and synthesized. The SAR and MMP selectivity of the series were investigated. In particular, compound 8b showed excellent in vitro potency against the isolated enzyme and good selectivity over MMP-2, -7, -8, -9, and -13. The X-ray structure of 8b in complex with TACE was also obtained.

About this Structure

3B92 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones., Bandarage UK, Wang T, Come JH, Perola E, Wei Y, Rao BG, Bioorg Med Chem Lett. 2008 Jan 1;18(1):44-8. Epub 2007 Nov 13. PMID:18054488

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