1ndv

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{{STRUCTURE_1ndv| PDB=1ndv | SCENE= }}
{{STRUCTURE_1ndv| PDB=1ndv | SCENE= }}
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'''Crystal Structure of Adenosine Deaminase complexed with FR117016'''
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===Crystal Structure of Adenosine Deaminase complexed with FR117016===
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==Overview==
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We disclose herein the rapid discovery of the first highly potent (Ki = 7.7 nM) non-nucleoside adenosine deaminase (ADA) inhibitor based on the rational hybridization of two structurally distinct leads. Two micromolar inhibitors were discovered by a parallel rational design and random screening program, and individual crystal structures of bovine ADA in complexation with these inhibitors revealed several unknown binding sites and distinct binding modes. Using this information as the starting point, highly effective lead hybridization was achieved in only two structure-based drug design iterations. The conceptual approach illustrated by this example promises to be broadly useful in the search for new chemical entities and can contribute greatly to improve the overall efficiency and speed of drug discovery.
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(as it appears on PubMed at http://www.pubmed.gov), where 14709046 is the PubMed ID number.
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{{ABSTRACT_PUBMED_14709046}}
==About this Structure==
==About this Structure==
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[[Category: Inhibitor-induced conformational change]]
[[Category: Inhibitor-induced conformational change]]
[[Category: Structure-based drug design]]
[[Category: Structure-based drug design]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 02:25:00 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 10:32:51 2008''

Revision as of 07:32, 28 July 2008

Image:1ndv.png

Template:STRUCTURE 1ndv

Crystal Structure of Adenosine Deaminase complexed with FR117016

Template:ABSTRACT PUBMED 14709046

About this Structure

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

Reference

A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization., Terasaka T, Kinoshita T, Kuno M, Nakanishi I, J Am Chem Soc. 2004 Jan 14;126(1):34-5. PMID:14709046

Page seeded by OCA on Mon Jul 28 10:32:51 2008

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