2jj3

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Revision as of 19:58, 29 October 2007 by OCA (talk | contribs) (New page: left|200px<br /> <applet load="2jj3" size="450" color="white" frame="true" align="right" spinBox="true" caption="2jj3, resolution 2.28Å" /> '''ESTROGEN RECEPTOR B...)
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File:2jj3.gif


2jj3, resolution 2.28Å

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ESTROGEN RECEPTOR BETA LIGAND BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST

OverviewOverview

Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite, orientations. We have used structure based drug design to show that this, unique phenomena can be exploited via substitution at the 8-position of, the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta, subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta, are supportive of this approach to improve selectivity in this structural, class.

About this StructureAbout this Structure

2JJ3 is a [Single protein] structure of sequence from [Homo sapiens] with JJ3 as [ligand]. Full crystallographic information is available from [OCA].

ReferenceReference

Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring., Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT, Bioorg Med Chem Lett. 2007 Jul 13;. PMID:17662603

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