2jj3

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[[Image:2jj3.jpg|left|200px]]<br /><applet load="2jj3" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2jj3.jpg|left|200px]]
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caption="2jj3, resolution 2.28&Aring;" />
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'''ESTROGEN RECEPTOR BETA LIGAND BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST'''<br />
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{{Structure
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|PDB= 2jj3 |SIZE=350|CAPTION= <scene name='initialview01'>2jj3</scene>, resolution 2.28&Aring;
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|SITE= <scene name='pdbsite=AC1:Jj3+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=JJ3:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL'>JJ3</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''ESTROGEN RECEPTOR BETA LIGAND BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2JJ3 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=JJ3:'>JJ3</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Jj3+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJ3 OCA].
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2JJ3 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJ3 OCA].
==Reference==
==Reference==
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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 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17662603 17662603]
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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 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17662603 17662603]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: zinc-finger]]
[[Category: zinc-finger]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:03:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:42:37 2008''

Revision as of 15:42, 20 March 2008

Image:2jj3.jpg


PDB ID 2jj3

Drag the structure with the mouse to rotate
, resolution 2.28Å
Sites:
Ligands:
Coordinates: save as pdb, mmCIF, xml



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


Overview

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 Structure

2JJ3 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 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 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:17662603

Page seeded by OCA on Thu Mar 20 17:42:37 2008

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