1nde

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[[Image:1nde.gif|left|200px]]<br /><applet load="1nde" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1nde.gif|left|200px]]
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caption="1nde, resolution 3.0&Aring;" />
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'''Estrogen Receptor beta with Selective Triazine Modulator'''<br />
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{{Structure
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|PDB= 1nde |SIZE=350|CAPTION= <scene name='initialview01'>1nde</scene>, resolution 3.0&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=MON:4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL'>MON</scene>
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|ACTIVITY=
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|GENE= ESTRB ([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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'''Estrogen Receptor beta with Selective Triazine Modulator'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1NDE 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=MON:'>MON</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NDE OCA].
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1NDE 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=1NDE OCA].
==Reference==
==Reference==
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A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta., Henke BR, Consler TG, Go N, Hale RL, Hohman DR, Jones SA, Lu AT, Moore LB, Moore JT, Orband-Miller LA, Robinett RG, Shearin J, Spearing PK, Stewart EL, Turnbull PS, Weaver SL, Williams SP, Wisely GB, Lambert MH, J Med Chem. 2002 Dec 5;45(25):5492-505. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12459017 12459017]
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A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta., Henke BR, Consler TG, Go N, Hale RL, Hohman DR, Jones SA, Lu AT, Moore LB, Moore JT, Orband-Miller LA, Robinett RG, Shearin J, Spearing PK, Stewart EL, Turnbull PS, Weaver SL, Williams SP, Wisely GB, Lambert MH, J Med Chem. 2002 Dec 5;45(25):5492-505. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12459017 12459017]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: triazine]]
[[Category: triazine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:04:52 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:55:25 2008''

Revision as of 10:55, 20 March 2008

Image:1nde.gif


PDB ID 1nde

Drag the structure with the mouse to rotate
, resolution 3.0Å
Ligands:
Gene: ESTRB (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



Estrogen Receptor beta with Selective Triazine Modulator


Overview

A series of 1,3,5-triazine-based estrogen receptor (ER) modulators that are modestly selective for the ERbeta subtype are reported. Compound 1, which displayed modest potency and selectivity for ERbeta vs ERalpha, was identified via high-throughput screening utilizing an ERbeta SPA-based binding assay. Subsequent analogue preparation resulted in the identification of compounds such as 21 and 43 that display 25- to 30-fold selectivity for ERbeta with potencies in the 10-30 nM range. These compounds profile as full antagonists at ERbeta and weak partial agonists at ERalpha in a cell-based reporter gene assay. In addition, the X-ray crystal structure of compound 15 complexed with the ligand binding domain of ERbeta has been solved and was utilized in the design of more conformationally restrained analogues such as 31 in an attempt to increase selectivity for the ERbeta subtype.

About this Structure

1NDE is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta., Henke BR, Consler TG, Go N, Hale RL, Hohman DR, Jones SA, Lu AT, Moore LB, Moore JT, Orband-Miller LA, Robinett RG, Shearin J, Spearing PK, Stewart EL, Turnbull PS, Weaver SL, Williams SP, Wisely GB, Lambert MH, J Med Chem. 2002 Dec 5;45(25):5492-505. PMID:12459017

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