2q70
From Proteopedia
(New page: 200px<br /> <applet load="2q70" size="450" color="white" frame="true" align="right" spinBox="true" caption="2q70, resolution 1.95Å" /> '''Estrogen receptor a...) |
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| - | [[Image:2q70. | + | [[Image:2q70.jpg|left|200px]]<br /><applet load="2q70" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2q70" size=" | + | |
caption="2q70, resolution 1.95Å" /> | caption="2q70, resolution 1.95Å" /> | ||
'''Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand'''<br /> | '''Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand'''<br /> | ||
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==Overview== | ==Overview== | ||
Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here, we describe the syntheses of cyclopentanone and cyclohexanone, intermediates for SAR studies of the C-ring on the benzopyran scaffold., Modification of the C-ring disrupts binding to ERalpha, thus improving, ERbeta selectivity up to 100-fold. X-ray cocrystal structures confirm, previously observed binding modes. | Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here, we describe the syntheses of cyclopentanone and cyclohexanone, intermediates for SAR studies of the C-ring on the benzopyran scaffold., Modification of the C-ring disrupts binding to ERalpha, thus improving, ERbeta selectivity up to 100-fold. X-ray cocrystal structures confirm, previously observed binding modes. | ||
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| - | ==Disease== | ||
| - | Known diseases associated with this structure: Atherosclerosis, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]], Breast cancer OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]], Estrogen resistance OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]], HDL response to hormone replacement, augmented OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]], Migraine, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]], Myocardial infarction, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=133430 133430]] | ||
==About this Structure== | ==About this Structure== | ||
| - | 2Q70 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 DC8 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 2Q70 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=DC8:'>DC8</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q70 OCA]. |
==Reference== | ==Reference== | ||
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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 Wed Jan 23 12:34:21 2008'' |
Revision as of 10:34, 23 January 2008
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Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand
Overview
Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here, we describe the syntheses of cyclopentanone and cyclohexanone, intermediates for SAR studies of the C-ring on the benzopyran scaffold., Modification of the C-ring disrupts binding to ERalpha, thus improving, ERbeta selectivity up to 100-fold. X-ray cocrystal structures confirm, previously observed binding modes.
About this Structure
2Q70 is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.
Reference
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification., Richardson TI, Dodge JA, Durst GL, Pfeifer LA, Shah J, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Sep 1;17(17):4824-8. Epub 2007 Jun 20. PMID:17614275
Page seeded by OCA on Wed Jan 23 12:34:21 2008
