1v7a

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[[Image:1v7a.jpg|left|200px]]
[[Image:1v7a.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1v7a |SIZE=350|CAPTION= <scene name='initialview01'>1v7a</scene>, resolution 2.5&Aring;
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The line below this paragraph, containing "STRUCTURE_1v7a", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=FRC:1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE'>FRC</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosine_deaminase Adenosine deaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.4.4 3.5.4.4] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1v7a| PDB=1v7a | SCENE= }}
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|RELATEDENTRY=[[1v78|1V78]], [[1v79|1V79]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1v7a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1v7a OCA], [http://www.ebi.ac.uk/pdbsum/1v7a PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1v7a RCSB]</span>
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}}
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'''Crystal structures of adenosine deaminase complexed with potent inhibitors'''
'''Crystal structures of adenosine deaminase complexed with potent inhibitors'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Kinoshita, T.]]
[[Category: Kinoshita, T.]]
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[[Category: beta barrel]]
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[[Category: Beta barrel]]
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[[Category: zinc]]
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[[Category: Zinc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 12:10:42 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:20:26 2008''
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Revision as of 09:10, 3 May 2008

Image:1v7a.jpg

Template:STRUCTURE 1v7a

Crystal structures of adenosine deaminase complexed with potent inhibitors


Overview

We disclose optimization efforts based on the novel non-nucleoside adenosine deaminase (ADA) inhibitor, 4 (K(i) = 680 nM). Structure-based drug design utilizing the crystal structure of the 4/ADA complex led to discovery of 5 (K(i) = 11 nM, BA = 30% in rats). Furthermore, from metabolic considerations, we discovered two inhibitors with improved oral bioavailability [6 (K(i) = 13 nM, BA = 44%) and 7 (K(i) = 9.8 nM, BA = 42%)]. 6 demonstrated in vivo efficacy in models of inflammation and lymphoma.

About this Structure

1V7A is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors., Terasaka T, Okumura H, Tsuji K, Kato T, Nakanishi I, Kinoshita T, Kato Y, Kuno M, Seki N, Naoe Y, Inoue T, Tanaka K, Nakamura K, J Med Chem. 2004 May 20;47(11):2728-31. PMID:15139750 Page seeded by OCA on Sat May 3 12:10:42 2008

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OCA

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