1ef3: Difference between revisions

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[[Image:1ef3.~~jpg~~|left|200px]]

[[Image:1ef3.png|left|200px]]

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~~'''~~FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE~~'''~~

===FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE===

~~==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~~.

The line below this paragraph, {{ABSTRACT_PUBMED_10882376}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 10882376 is the PubMed ID number.

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==About this Structure==

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[[Category: Beta barrel]]

[[Category: Protein-inhibitor complex]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri May~~ ~~2 15~~:01:17 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:35:59 2008''

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-[[Image:1ef3.jpg|left|200px]]
+{{Seed}}
+[[Image:1ef3.png|left|200px]]
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 {{STRUCTURE_1ef3|  PDB=1ef3  |  SCENE=  }}
-'''FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE'''
+===FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE===
-==Overview==
+<!--
-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.
+The line below this paragraph, {{ABSTRACT_PUBMED_10882376}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 10882376 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_10882376}}
 ==About this Structure==
@@ Line 30: / Line 34: @@
 [[Category: Beta barrel]]
 [[Category: Protein-inhibitor complex]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 15:01:17 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul  1 00:35:59 2008''