2e1w: Difference between revisions

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{{STRUCTURE_2e1w|  PDB=2e1w  |  SCENE=  }}  
{{STRUCTURE_2e1w|  PDB=2e1w  |  SCENE=  }}  


'''Crystal structure of adenosine deaminase complexed with potent inhibitors'''
===Crystal structure of adenosine deaminase complexed with potent inhibitors===




==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.
The line below this paragraph, {{ABSTRACT_PUBMED_15139750}}, adds the Publication Abstract to the page
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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]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 01:46:08 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 01:09:24 2008''

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