1v79

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[[Image:1v79.gif|left|200px]]
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{{STRUCTURE_1v79| PDB=1v79 | SCENE= }}
{{STRUCTURE_1v79| PDB=1v79 | SCENE= }}
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'''Crystal structures of adenosine deaminase complexed with potent inhibitors'''
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===Crystal structures of adenosine deaminase complexed with potent inhibitors===
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==Overview==
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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.
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The line below this paragraph, {{ABSTRACT_PUBMED_15139750}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 15139750 is the PubMed ID number.
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{{ABSTRACT_PUBMED_15139750}}
==About this Structure==
==About this Structure==
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[[Category: Beta barrel]]
[[Category: Beta barrel]]
[[Category: Zinc]]
[[Category: Zinc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 12:10:36 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 09:46:44 2008''

Revision as of 06:46, 29 July 2008

Image:1v79.png

Template:STRUCTURE 1v79

Crystal structures of adenosine deaminase complexed with potent inhibitors

Template:ABSTRACT PUBMED 15139750

About this Structure

1V79 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 Tue Jul 29 09:46:44 2008

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