1u3r - Revision history

OCA at 08:43, 14 February 2024

OCA — Wed, 14 Feb 2024 08:43:45 GMT

←Older revision		Revision as of 08:43, 14 February 2024
Line 3:		Line 3:
	<StructureSection load='1u3r' size='340' side='right'caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='1u3r' size='340' side='right'caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U3R OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=1U3R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U3R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1U3R FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=338:2~~-~~(5-HYDROXY-NAPHTHALEN-1-YL)-1~~,~~3-BENZOOXAZOL-6-OL'>338</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.21Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;'>[[1u3q\|1u3q]]~~, ~~[[1u3s\|1u3s]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>
-	~~<tr id='gene~~'>~~<td class="sblockLbl"><b>[[Gene\|Gene:]]~~</b>~~</td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [https://pdbe.org/1u3r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [https://www.ebi.ac.uk/pdbsum/1u3r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1u3r ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [~~http~~://pdbe.org/1u3r PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1u3r PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1u3r ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN]] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.	+	[https://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 21:		Line 20:
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1u3r ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1u3r ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	New diphenolic azoles as highly selective estrogen receptor-beta agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERbeta as the natural ligand 17beta-estradiol but are >100-fold selective over ERalpha. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERbeta cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(373), to optimize ERbeta selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERbeta. The majority of ERbeta selective agonists tested that were at least approximately 50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERbeta-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.
-
-	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.,Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC Jr, Harris HA J Med Chem. 2004 Oct 7;47(21):5021-40. PMID:15456246<ref>PMID:15456246</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1u3r" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Estrogen receptor 3D structures\|Estrogen receptor 3D structures]]		*[[Estrogen receptor 3D structures\|Estrogen receptor 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Collini~~, M D~~]]	+	[[Category: Collini MD]]
-	[[Category: Dinh, T]]	+	[[Category: Dinh T]]
-	[[Category: Gunawan, I]]	+	[[Category: Gunawan I]]
-	[[Category: Harris~~, H A~~]]	+	[[Category: Harris HA]]
-	[[Category: Henderson~~, R A~~]]	+	[[Category: Henderson RA]]
-	[[Category: Keith~~, J C~~]]	+	[[Category: Keith Jr JC]]
-	[[Category: Malamas~~, M S~~]]	+	[[Category: Malamas MS]]
-	[[Category: Manas~~, E S~~]]	+	[[Category: Manas ES]]
-	[[Category: McDevitt~~, R E~~]]	+	[[Category: McDevitt RE]]
-	[[Category: Miller~~, C P~~]]	+	[[Category: Miller CP]]
-	[[Category: Xu~~, Z B]]~~	+	[[Category: Xu ZB]]
-	~~[[Category: Agonist]]~~	+
-	~~[[Category: Er]]~~	+
-	~~[[Category: Er-beta]]~~	+
-	~~[[Category: Estrogen]]~~	+
-	~~[[Category: Estrogen receptor]]~~	+
-	~~[[Category: Estrogen receptor beta]]~~	+
-	~~[[Category: Nuclear receptor]]~~	+
-	~~[[Category: Transcription]]~~	+
-	~~[[Category: Transcription factor~~]]	+

OCA at 07:20, 30 December 2020

OCA — Wed, 30 Dec 2020 07:20:19 GMT

←Older revision		Revision as of 07:20, 30 December 2020
Line 1:		Line 1:

	==Crystal Structure of Estrogen Receptor beta complexed with WAY-338==		==Crystal Structure of Estrogen Receptor beta complexed with WAY-338==
-	<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>	+	<StructureSection load='1u3r' size='340' side='right'caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U3R OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1U3R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U3R OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=1U3R FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1u3q\|1u3q]], [[1u3s\|1u3s]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://pdbe.org/1u3r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1u3r ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://pdbe.org/1u3r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1u3r ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 32:		Line 32:

	==See Also==		==See Also==
-	*[[Estrogen receptor\|Estrogen receptor]]	+	*[[Estrogen receptor 3D structures\|Estrogen receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 38:		Line 38:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Collini, M D]]		[[Category: Collini, M D]]
	[[Category: Dinh, T]]		[[Category: Dinh, T]]

OCA at 08:34, 21 March 2018

OCA — Wed, 21 Mar 2018 08:34:55 GMT

←Older revision		Revision as of 08:34, 21 March 2018
Line 1:		Line 1:
		+
	==Crystal Structure of Estrogen Receptor beta complexed with WAY-338==		==Crystal Structure of Estrogen Receptor beta complexed with WAY-338==
	<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://pdbe.org/1u3r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://pdbe.org/1u3r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1u3r ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/u3/1u3r_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/u3/1u3r_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1u3r ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 15:09, 11 September 2015

OCA — Fri, 11 Sep 2015 15:09:50 GMT

←Older revision		Revision as of 15:09, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with 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=1U3R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1U3R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U3R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1U3R FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://pdbe.org/1u3r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 28:		Line 28:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 1u3r" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Collini, M D]]		[[Category: Collini, M D]]
	[[Category: Dinh, T]]		[[Category: Dinh, T]]

OCA at 18:11, 25 December 2014

OCA — Thu, 25 Dec 2014 18:11:54 GMT

←Older revision		Revision as of 18:11, 25 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_1u3r\| PDB=1u3r \| SCENE= }}~~	+	==Crystal Structure of Estrogen Receptor beta complexed with WAY-338==
-	===Crystal Structure of Estrogen Receptor beta complexed with WAY-338===	+	<StructureSection load='1u3r' size='340' side='right' caption='[[1u3r]], [[Resolution\|resolution]] 2.21Å' scene=''>
-	~~{{ABSTRACT_PUBMED_15456246}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[1u3r]] is a 4 chain structure with 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=1U3R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1U3R FirstGlance]. <br>
-	==Function==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=338:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL'>338</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u3q\|1u3q]], [[1u3s\|1u3s]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1u3r RCSB], [http://www.ebi.ac.uk/pdbsum/1u3r PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
	[[http://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN]] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.		[[http://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN]] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/u3/1u3r_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	New diphenolic azoles as highly selective estrogen receptor-beta agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERbeta as the natural ligand 17beta-estradiol but are >100-fold selective over ERalpha. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERbeta cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(373), to optimize ERbeta selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERbeta. The majority of ERbeta selective agonists tested that were at least approximately 50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERbeta-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.

-	~~==About this Structure==~~	+	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.,Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC Jr, Harris HA J Med Chem. 2004 Oct 7;47(21):5021-40. PMID:15456246<ref>PMID:15456246</ref>
-	~~[[1u3r]] is a 4 chain structure with 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=1U3R OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Estrogen receptor\|Estrogen receptor]]		*[[Estrogen receptor\|Estrogen receptor]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:015456246</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Collini, M D.]]	+	[[Category: Collini, M D]]
-	[[Category: Dinh, T.]]	+	[[Category: Dinh, T]]
-	[[Category: Gunawan, I.]]	+	[[Category: Gunawan, I]]
-	[[Category: Harris, H A.]]	+	[[Category: Harris, H A]]
-	[[Category: Henderson, R A.]]	+	[[Category: Henderson, R A]]
-	[[Category: Keith, J C.]]	+	[[Category: Keith, J C]]
-	[[Category: Malamas, M S.]]	+	[[Category: Malamas, M S]]
-	[[Category: Manas, E S.]]	+	[[Category: Manas, E S]]
-	[[Category: McDevitt, R E.]]	+	[[Category: McDevitt, R E]]
-	[[Category: Miller, C P.]]	+	[[Category: Miller, C P]]
-	[[Category: Xu, Z B.]]	+	[[Category: Xu, Z B]]
	[[Category: Agonist]]		[[Category: Agonist]]
	[[Category: Er]]		[[Category: Er]]

OCA at 20:44, 24 March 2013

OCA — Sun, 24 Mar 2013 20:44:51 GMT

←Older revision		Revision as of 20:44, 24 March 2013
Line 1:		Line 1:
-	[[Image:1u3r.png\|left\|200px]]
-
	{{STRUCTURE_1u3r\| PDB=1u3r \| SCENE= }}		{{STRUCTURE_1u3r\| PDB=1u3r \| SCENE= }}
-
	===Crystal Structure of Estrogen Receptor beta complexed with WAY-338===		===Crystal Structure of Estrogen Receptor beta complexed with WAY-338===
		+	{{ABSTRACT_PUBMED_15456246}}

-	~~{{ABSTRACT_PUBMED_15456246}}~~	+	==Function==
		+	[[http://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN]] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.

	==About this Structure==		==About this Structure==
Line 14:		Line 13:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:015456246</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015456246</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Collini, M D.]]		[[Category: Collini, M D.]]

OCA at 19:49, 20 October 2012

OCA — Sat, 20 Oct 2012 19:49:51 GMT

←Older revision		Revision as of 19:49, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1u3r]] is a 4 chain structure ~~of [[Estrogen receptor]]~~ with 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=1U3R OCA].	+	[[1u3r]] is a 4 chain structure with 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=1U3R OCA].

	==See Also==		==See Also==

OCA: Protected "1u3r" [edit=sysop:move=sysop]

OCA — Fri, 27 Jul 2012 08:37:39 GMT

Protected "1u3r" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:37, 27 July 2012

OCA at 08:37, 27 July 2012

OCA — Fri, 27 Jul 2012 08:37:37 GMT

←Older revision		Revision as of 08:37, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:1u3r.png\|left\|200px]]		[[Image:1u3r.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1u3r", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_1u3r\| PDB=1u3r \| SCENE= }}		{{STRUCTURE_1u3r\| PDB=1u3r \| SCENE= }}

	===Crystal Structure of Estrogen Receptor beta complexed with WAY-338===		===Crystal Structure of Estrogen Receptor beta complexed with WAY-338===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_15456246}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 15456246 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_15456246}}		{{ABSTRACT_PUBMED_15456246}}

	==About this Structure==		==About this Structure==
-	~~1U3R~~ is a 4 ~~chains~~ structure of ~~sequences~~ 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=1U3R OCA].	+	[[1u3r]] is a 4 chain structure of [[Estrogen receptor]] with 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=1U3R OCA].
		+
		+	==See Also==
		+	*[[Estrogen receptor\|Estrogen receptor]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~15456246~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015456246</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Collini, M D.]]		[[Category: Collini, M D.]]
Line 30:		Line 21:
	[[Category: Harris, H A.]]		[[Category: Harris, H A.]]
	[[Category: Henderson, R A.]]		[[Category: Henderson, R A.]]
-	[[Category: ~~Jr.~~, J C~~.Keith~~.]]	+	[[Category: Keith, J C.]]
	[[Category: Malamas, M S.]]		[[Category: Malamas, M S.]]
	[[Category: Manas, E S.]]		[[Category: Manas, E S.]]
Line 43:		Line 34:
	[[Category: Estrogen receptor beta]]		[[Category: Estrogen receptor beta]]
	[[Category: Nuclear receptor]]		[[Category: Nuclear receptor]]
		+	[[Category: Transcription]]
	[[Category: Transcription factor]]		[[Category: Transcription factor]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 01:33:01 2009''

OCA at 23:33, 17 February 2009

OCA — Tue, 17 Feb 2009 23:33:07 GMT

←Older revision		Revision as of 23:33, 17 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	1U3R 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=1U3R OCA].	+	1U3R is a 4 chains structure of sequences 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=1U3R OCA].

	==Reference==		==Reference==
-	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands., Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC Jr, Harris HA, J Med Chem. 2004 Oct 7;47(21):5021-40. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/15456246 15456246]~~	+	<ref group="xtra">PMID:15456246</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Single protein]]
	[[Category: Collini, M D.]]		[[Category: Collini, M D.]]
	[[Category: Dinh, T.]]		[[Category: Dinh, T.]]
Line 46:		Line 45:
	[[Category: Transcription factor]]		[[Category: Transcription factor]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Tue Jul 29 08~~:38:~~31 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 01:33:01 2009''