2e1w

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{{STRUCTURE_2e1w| PDB=2e1w | SCENE= }}
{{STRUCTURE_2e1w| PDB=2e1w | SCENE= }}
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'''Crystal structure of adenosine deaminase complexed with potent inhibitors'''
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===Crystal structure 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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(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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Revision as of 22:09, 27 July 2008

Image:2e1w.png

Template:STRUCTURE 2e1w

Crystal structure of adenosine deaminase complexed with potent inhibitors

Template:ABSTRACT PUBMED 15139750

About this Structure

2E1W is a Single protein structure of sequence from Bos taurus. This structure supersedes the now removed PDB entry 1v78. 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 Mon Jul 28 01:09:24 2008

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