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1ef3

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{{STRUCTURE_1ef3| PDB=1ef3 | SCENE= }}
{{STRUCTURE_1ef3| PDB=1ef3 | SCENE= }}
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'''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''
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===FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE===
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==Overview==
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The absolute configuration of the aldose reductase (AR) inhibitor, (+)-(2S,4S)-6-fluoro-2',5'-dioxospiro inverted question markchroman-4, 4'-imidazolidine-2-carboxamide (fidarestat), was established indirectly by single-crystal X-ray analysis of (+)-(2S, 4S)-8-bromo-6-fluoro-2',5'-dioxospiro inverted question markchroman-4, 4'-imidazolidine-2-carboxylic acid (1). The crystal structure of human AR complexed with fidarestat was determined, and the specific inhibition activity was discussed on the basis of the three-dimensional interactions between them. The structure clarified that fidarestat was located in the active site by hydrophilic and hydrophobic interactions and that the carbamoyl group of fidarestat was a very effective substituent for affinity to AR and for selectivity between AR and aldehyde reductase (AHR). Explanations for the differences between the observed activities of fidarestat and its stereoisomer 2 were suggested by computer modeling.
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(as it appears on PubMed at http://www.pubmed.gov), where 10882376 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10882376}}
==About this Structure==
==About this Structure==
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[[Category: Beta barrel]]
[[Category: Beta barrel]]
[[Category: Protein-inhibitor complex]]
[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:01:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:35:59 2008''

Revision as of 21:36, 30 June 2008

Image:1ef3.png

Template:STRUCTURE 1ef3

FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE

Template:ABSTRACT PUBMED 10882376

About this Structure

1EF3 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

A potent aldose reductase inhibitor, (2S,4S)-6-fluoro-2', 5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide (Fidarestat): its absolute configuration and interactions with the aldose reductase by X-ray crystallography., Oka M, Matsumoto Y, Sugiyama S, Tsuruta N, Matsushima M, J Med Chem. 2000 Jun 15;43(12):2479-83. PMID:10882376

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