1x7e: Difference between revisions
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New page: left|200px<br /> <applet load="1x7e" size="450" color="white" frame="true" align="right" spinBox="true" caption="1x7e, resolution 2.80Å" /> '''CRYSTAL STRUCTURE O... |
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[[Image:1x7e.gif|left|200px]]<br /> | [[Image:1x7e.gif|left|200px]]<br /><applet load="1x7e" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="1x7e" size=" | |||
caption="1x7e, resolution 2.80Å" /> | caption="1x7e, resolution 2.80Å" /> | ||
'''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244'''<br /> | '''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244'''<br /> | ||
==Overview== | ==Overview== | ||
We present the structure-based optimization of a series of estrogen | 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. | ||
==Disease== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
1X7E is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with 244 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | 1X7E is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=244:'>244</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7E OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Akopian, T.]] | [[Category: Akopian, T.]] | ||
[[Category: Alvarez, J | [[Category: Alvarez, J C.]] | ||
[[Category: Bapat, A.]] | [[Category: Bapat, A.]] | ||
[[Category: Bhat, R | [[Category: Bhat, R A.]] | ||
[[Category: Harris, H | [[Category: Harris, H A.]] | ||
[[Category: Hsiao, C.]] | [[Category: Hsiao, C.]] | ||
[[Category: Hum, W | [[Category: Hum, W T.]] | ||
[[Category: Malakian, K.]] | [[Category: Malakian, K.]] | ||
[[Category: Malamas, M | [[Category: Malamas, M S.]] | ||
[[Category: Manas, E | [[Category: Manas, E S.]] | ||
[[Category: Miller, C | [[Category: Miller, C P.]] | ||
[[Category: Somers, W | [[Category: Somers, W S.]] | ||
[[Category: Stahl, M | [[Category: Stahl, M L.]] | ||
[[Category: Unwalla, R | [[Category: Unwalla, R J.]] | ||
[[Category: Wolfrom, S.]] | [[Category: Wolfrom, S.]] | ||
[[Category: Xu, Z | [[Category: Xu, Z B.]] | ||
[[Category: 244]] | [[Category: 244]] | ||
[[Category: agonist]] | [[Category: agonist]] | ||
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[[Category: nuclear recept transcription factor]] | [[Category: nuclear recept transcription factor]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:51:44 2008'' | ||
