1x7b: Difference between revisions

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[[Image:1x7b.~~gif~~|left|200px]]

[[Image:1x7b.png|left|200px]]

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~~'''~~CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041~~'''~~

===CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041===

~~==Overview==~~

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~~We present~~ the structure-based optimization of a series of estrogen receptor-beta (ERbeta) selective ligands. X-ray cocrystal structures of these ligands complexed to both ERalpha and ERbeta are described. We also discuss how molecular modeling was used to ~~take advantage of subtle differences between~~ the ~~two binding cavities in order to optimize selectivity for ERbeta over ERalpha~~. ~~Quantum chemical calculations are utilized to gain insight into the mechanism of selectivity enhancement~~. ~~Despite only two relatively conservative residue substitutions in the ligand binding pocket~~, the ~~most selective compounds have greater than 100~~-~~fold selectivity for ERbeta relative to ERalpha when measured using a competitive radioligand binding assay.~~

The line below this paragraph, {{ABSTRACT_PUBMED_15548008}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 15548008 is the PubMed ID number.

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==About this Structure==

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[[Category: Nuclear receptor]]

[[Category: Transcription factor]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sat May 3 14~~:39:32 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 10:06:32 2008''

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-[[Image:1x7b.gif|left|200px]]
+{{Seed}}
+[[Image:1x7b.png|left|200px]]
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 {{STRUCTURE_1x7b|  PDB=1x7b  |  SCENE=  }}
-'''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041'''
+===CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041===
-==Overview==
+<!--
-We present the structure-based optimization of a series of estrogen receptor-beta (ERbeta) selective ligands. X-ray cocrystal structures of these ligands complexed to both ERalpha and ERbeta are described. We also discuss how molecular modeling was used to take advantage of subtle differences between the two binding cavities in order to optimize selectivity for ERbeta over ERalpha. Quantum chemical calculations are utilized to gain insight into the mechanism of selectivity enhancement. Despite only two relatively conservative residue substitutions in the ligand binding pocket, the most selective compounds have greater than 100-fold selectivity for ERbeta relative to ERalpha when measured using a competitive radioligand binding assay.
+The line below this paragraph, {{ABSTRACT_PUBMED_15548008}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 15548008 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_15548008}}
 ==About this Structure==
@@ Line 46: / Line 50: @@
 [[Category: Nuclear receptor]]
 [[Category: Transcription factor]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 14:39:32 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 10:06:32 2008''