1zxc

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[[Image:1zxc.gif|left|200px]]<br /><applet load="1zxc" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1zxc.gif|left|200px]]
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caption="1zxc, resolution 2.28&Aring;" />
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'''Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor'''<br />
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{{Structure
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|PDB= 1zxc |SIZE=350|CAPTION= <scene name='initialview01'>1zxc</scene>, resolution 2.28&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=IH6:(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE'>IH6</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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|GENE= ADAM17, CSVP, TACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1ZXC 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=IH6:'>IH6</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=1ZXC OCA].
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1ZXC 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=1ZXC OCA].
==Reference==
==Reference==
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Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates., Levin JI, Chen JM, Laakso LM, Du M, Du X, Venkatesan AM, Sandanayaka V, Zask A, Xu J, Xu W, Zhang Y, Skotnicki JS, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4345-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16084720 16084720]
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Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates., Levin JI, Chen JM, Laakso LM, Du M, Du X, Venkatesan AM, Sandanayaka V, Zask A, Xu J, Xu W, Zhang Y, Skotnicki JS, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4345-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16084720 16084720]
[[Category: ADAM 17 endopeptidase]]
[[Category: ADAM 17 endopeptidase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: zn-endopeptidase]]
[[Category: zn-endopeptidase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:20:00 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:40:57 2008''

Revision as of 13:40, 20 March 2008

Image:1zxc.gif


PDB ID 1zxc

Drag the structure with the mouse to rotate
, resolution 2.28Å
Ligands: and
Gene: ADAM17, CSVP, TACE (Homo sapiens)
Activity: ADAM 17 endopeptidase, with EC number 3.4.24.86
Coordinates: save as pdb, mmCIF, xml



Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor


Overview

The SAR of a series of potent sulfonamide hydroxamate TACE inhibitors bearing a butynyloxy P1' group was explored. In particular, compound 5k has excellent in vitro potency against TACE enzyme and in cells, and oral activity in an in vivo model of TNF-alpha production and a collagen-induced arthritis model.

About this Structure

1ZXC is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates., Levin JI, Chen JM, Laakso LM, Du M, Du X, Venkatesan AM, Sandanayaka V, Zask A, Xu J, Xu W, Zhang Y, Skotnicki JS, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4345-9. PMID:16084720

Page seeded by OCA on Thu Mar 20 15:40:57 2008

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