1sj0: Difference between revisions
New page: left|200px<br /> <applet load="1sj0" size="450" color="white" frame="true" align="right" spinBox="true" caption="1sj0, resolution 1.90Å" /> '''Human Estrogen Rece... |
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[[Image:1sj0.gif|left|200px]]<br /> | [[Image:1sj0.gif|left|200px]]<br /><applet load="1sj0" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1sj0, resolution 1.90Å" /> | caption="1sj0, resolution 1.90Å" /> | ||
'''Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D'''<br /> | '''Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D'''<br /> | ||
==Overview== | ==Overview== | ||
The discovery and synthesis of dihydrobenzoxathiins as potent, ERalpha | The discovery and synthesis of dihydrobenzoxathiins as potent, ERalpha subtype selective ligands are described. The most active analogue, 4-D, was found to be 50-fold selective in a competitive binding assay and 100-fold selective in a transactivation assay in HEK-293 cells. The alpha selectivity was postulated to lie in the interaction of the sulfur atom of the benzoxathiin ring with the two discriminating residues in the binding pocket of the receptor isoforms. | ||
==Disease== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
1SJ0 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 E4D as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | 1SJ0 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=E4D:'>E4D</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SJ0 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Birzin, E | [[Category: Birzin, E T.]] | ||
[[Category: Chan, W.]] | [[Category: Chan, W.]] | ||
[[Category: DiNinno, F.]] | [[Category: DiNinno, F.]] | ||
[[Category: Fitzgerald, P | [[Category: Fitzgerald, P M.]] | ||
[[Category: Hammond, M | [[Category: Hammond, M L.]] | ||
[[Category: Kim, S.]] | [[Category: Kim, S.]] | ||
[[Category: Mosley, R | [[Category: Mosley, R T.]] | ||
[[Category: Pai, L | [[Category: Pai, L Y.]] | ||
[[Category: Rohrer, S | [[Category: Rohrer, S P.]] | ||
[[Category: Schaeffer, J | [[Category: Schaeffer, J M.]] | ||
[[Category: Sharma, N.]] | [[Category: Sharma, N.]] | ||
[[Category: Wu, J | [[Category: Wu, J Y.]] | ||
[[Category: Yang, Y | [[Category: Yang, Y T.]] | ||
[[Category: E4D]] | [[Category: E4D]] | ||
[[Category: antagonist]] | [[Category: antagonist]] | ||
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[[Category: transcription factor]] | [[Category: transcription factor]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:02:02 2008'' | ||
Revision as of 16:02, 21 February 2008
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Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
OverviewOverview
The discovery and synthesis of dihydrobenzoxathiins as potent, ERalpha subtype selective ligands are described. The most active analogue, 4-D, was found to be 50-fold selective in a competitive binding assay and 100-fold selective in a transactivation assay in HEK-293 cells. The alpha selectivity was postulated to lie in the interaction of the sulfur atom of the benzoxathiin ring with the two discriminating residues in the binding pocket of the receptor isoforms.
DiseaseDisease
Known diseases associated with this structure: Atherosclerosis, susceptibility to OMIM:[133430], Breast cancer OMIM:[133430], Estrogen resistance OMIM:[133430], HDL response to hormone replacement, augmented OMIM:[133430], Migraine, susceptibility to OMIM:[133430], Myocardial infarction, susceptibility to OMIM:[133430]
About this StructureAbout this Structure
1SJ0 is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.
ReferenceReference
Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators., Kim S, Wu JY, Birzin ET, Frisch K, Chan W, Pai LY, Yang YT, Mosley RT, Fitzgerald PM, Sharma N, Dahllund J, Thorsell AG, DiNinno F, Rohrer SP, Schaeffer JM, Hammond ML, J Med Chem. 2004 Apr 22;47(9):2171-5. PMID:15084115
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