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2qtu

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[[Image:2qtu.gif|left|200px]]
[[Image:2qtu.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2qtu |SIZE=350|CAPTION= <scene name='initialview01'>2qtu</scene>, resolution 2.53&Aring;
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The line below this paragraph, containing "STRUCTURE_2qtu", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=3AS:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL'>3AS</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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|GENE= ESR2, ESTRB, NR3A2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2qtu| PDB=2qtu | SCENE= }}
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|RELATEDENTRY=[[2i0g|2I0G]], [[2jj3|2JJ3]], [[2z4b|2Z4B]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qtu OCA], [http://www.ebi.ac.uk/pdbsum/2qtu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qtu RCSB]</span>
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}}
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'''Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand'''
'''Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand'''
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[[Category: Richardson, T I.]]
[[Category: Richardson, T I.]]
[[Category: Wang, Y.]]
[[Category: Wang, Y.]]
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[[Category: alternative splicing]]
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[[Category: Alternative splicing]]
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[[Category: dna-binding]]
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[[Category: Dna-binding]]
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[[Category: ligand-binding domain]]
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[[Category: Ligand-binding domain]]
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[[Category: lipid-binding]]
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[[Category: Lipid-binding]]
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[[Category: metal-binding]]
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[[Category: Metal-binding]]
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[[Category: nuclear receptor]]
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[[Category: Nuclear receptor]]
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[[Category: nucleus]]
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[[Category: Nucleus]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: steroid-binding]]
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[[Category: Steroid-binding]]
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[[Category: transcription]]
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[[Category: Transcription]]
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[[Category: transcription regulation]]
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[[Category: Transcription regulation]]
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[[Category: transcription regulator]]
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[[Category: Transcription regulator]]
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[[Category: zinc]]
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[[Category: Zinc]]
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[[Category: zinc-finger]]
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[[Category: Zinc-finger]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 15:40:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:53:12 2008''
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Revision as of 12:40, 4 May 2008

Template:STRUCTURE 2qtu

Estrogen receptor beta ligand-binding domain complexed 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 synthesis of a late stage intermediate that allowed us to combine A-ring and C-ring modifications and carry out simultaneous SAR studies at both positions. Modification of both positions proved additive, maintaining affinity and improving ERbeta selectivity up to 83-fold. An X-ray cocrystal structure confirms the previously observed binding mode in ERbeta.

About this Structure

2QTU is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies., Richardson TI, Dodge JA, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5563-6. Epub 2007 Aug 11. PMID:17804226 Page seeded by OCA on Sun May 4 15:40:15 2008

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