1ndy

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{{STRUCTURE_1ndy| PDB=1ndy | SCENE= }}
{{STRUCTURE_1ndy| PDB=1ndy | SCENE= }}
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'''Crystal Structure of Adenosine Deaminase Complexed with FR230513'''
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===Crystal Structure of Adenosine Deaminase Complexed with FR230513===
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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: Sbdd]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 02:25:09 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 19:32:39 2008''

Revision as of 16:32, 28 July 2008

Image:1ndy.png

Template:STRUCTURE 1ndy

Crystal Structure of Adenosine Deaminase Complexed with FR230513

Template:ABSTRACT PUBMED 14709046

About this Structure

1NDY 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 19:32:39 2008

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