View source for 3b92

[[Image:3b92.jpg|left|200px]]<br /><applet load="3b92" size="350" color="white" frame="true" align="right" spinBox="true" 
caption="3b92, resolution 2.00&Aring;" />
'''Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones'''<br />

==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 [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=440:'>440</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B92 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. 2007 Nov 13;. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18054488 18054488]
[[Category: ADAM 17 endopeptidase]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Wei, Y.]]
[[Category: 440]]
[[Category: ZN]]
[[Category: alternative splicing]]
[[Category: aryl-sulfonamide]]
[[Category: cleavage on pair of basic residues]]
[[Category: glycoprotein]]
[[Category: hydrolase]]
[[Category: membrane]]
[[Category: metal-binding]]
[[Category: metalloprotease]]
[[Category: notch signaling pathway]]
[[Category: phosphorylation]]
[[Category: protease]]
[[Category: sh3-binding]]
[[Category: tace inhibitors]]
[[Category: tnf-alpha converting enzyme]]
[[Category: transmembrane]]
[[Category: zinc]]
[[Category: zymogen]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 11:37:08 2008''