4ia7 - Revision history

OCA at 11:52, 1 March 2024

OCA — Fri, 01 Mar 2024 11:52:45 GMT

←Older revision		Revision as of 11:52, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</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]] 2.7Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [https://pdbe.org/4ia7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [https://www.ebi.ac.uk/pdbsum/4ia7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia7 ProSAT]</span></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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [https://pdbe.org/4ia7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [https://www.ebi.ac.uk/pdbsum/4ia7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref>		[https://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Changing the geminal methyl groups on 1alpha,25 dihydroxyvitamin D3 and its analogs to the deuterio versions generally improves the bioactivity. Derivatives of 1alpha,25 dihydroxyvitamin D3 with two chains emanating at C20, commonly referred to as gemini, are subject to the same phenomenon. Additionally, gemini with different side chains are susceptible to bioactivity differentials where the C17-20 threo configuration usually imparts higher activity than the corresponding erythro arrangement. In an effort to analyze the deuterium effect on gemini with minimal diastereotopic distortion, we synthesized gemini with equal side chains but introduced deuterium diastereospecifically on either chain. We solved the crystal structures of these compounds in the zebra fish zVDR ligand binding domain as complexes with NCoA-2 coactivator peptide and correlated the findings with growth inhibition in a breast cancer cell line.
-
-	Diastereotopic and Deuterium Effects in Gemini.,Maehr H, Rochel N, Lee HJ, Suh N, Milan UR J Med Chem. 2013 Apr 8. PMID:23566225<ref>PMID:23566225</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4ia7" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:51, 9 November 2022

OCA — Wed, 09 Nov 2022 08:51:57 GMT

←Older revision		Revision as of 08:51, 9 November 2022
Line 1:		Line 1:

	==Diastereotopic and Deuterium Effects in Gemini==		==Diastereotopic and Deuterium Effects in Gemini==
-	<StructureSection load='4ia7' size='340' side='right' caption='[[4ia7]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='4ia7' size='340' side='right'caption='[[4ia7]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Brachidanio_rerio Brachidanio~~ rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o1d\|3o1d]], [[3o1e\|3o1e]], [[2hcd\|2hcd]], [[4ia1\|4ia1]], [[4ia2\|4ia2]], [[4ia3\|4ia3]]</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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [https://pdbe.org/4ia7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [https://www.ebi.ac.uk/pdbsum/4ia7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia7 ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">vdra, nr1i1a, vdr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [~~http~~://pdbe.org/4ia7 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4ia7 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia7 ProSAT]</span></td></tr>	+
	</table>		</table>
-	== Disease ==
-	[[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Note=Chromosomal aberrations involving NCOA2 may be a cause of acute myeloid leukemias. Inversion inv(8)(p11;q13) generates the KAT6A-NCOA2 oncogene, which consists of the N-terminal part of KAT6A and the C-terminal part of NCOA2/TIF2. KAT6A-NCOA2 binds to CREBBP and disrupts its function in transcription activation.
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE]] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> [[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF-2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues.<ref>PMID:9430642</ref>	+	[https://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Brachidanio~~ rerio]]	+	[[Category: Danio rerio]]
-	[[Category: ~~Maehr, H~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Rochel, N~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Suh, N~~]]	+	[[Category: Maehr H]]
-	[[Category: ~~Uskokovic, M~~]]	+	[[Category: Rochel N]]
-	[[Category: ~~Alpha helical sandwich~~]]	+	[[Category: Suh N]]
-	[[Category: ~~Dna]]~~	+	[[Category: Uskokovic M]]
-	~~[[Category: Nucleus]]~~	+
-	~~[[Category: Phosphorylation]]~~	+
-	~~[[Category: Rxr]]~~	+
-	~~[[Category: Transcription regulation]]~~	+
-	~~[[Category: Transcription-transcription activator complex]]~~	+
-	~~[[Category: Vdr-agonist complex~~]]	+

OCA at 09:44, 4 August 2016

OCA — Thu, 04 Aug 2016 09:44:30 GMT

←Older revision		Revision as of 09:44, 4 August 2016
Line 1:		Line 1:
		+
	==Diastereotopic and Deuterium Effects in Gemini==		==Diastereotopic and Deuterium Effects in Gemini==
	<StructureSection load='4ia7' size='340' side='right' caption='[[4ia7]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='4ia7' size='340' side='right' caption='[[4ia7]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Danio_rerio Danio~~ rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Brachidanio_rerio Brachidanio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o1d\|3o1d]], [[3o1e\|3o1e]], [[2hcd\|2hcd]], [[4ia1\|4ia1]], [[4ia2\|4ia2]], [[4ia3\|4ia3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o1d\|3o1d]], [[3o1e\|3o1e]], [[2hcd\|2hcd]], [[4ia1\|4ia1]], [[4ia2\|4ia2]], [[4ia3\|4ia3]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">vdra, nr1i1a, vdr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 ~~Danio~~ rerio])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">vdra, nr1i1a, vdr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [http://www.ebi.ac.uk/pdbsum/4ia7 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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [http://pdbe.org/4ia7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [http://www.ebi.ac.uk/pdbsum/4ia7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia7 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	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 4ia7" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Danio~~ rerio]]	+	[[Category: Brachidanio rerio]]
	[[Category: Maehr, H]]		[[Category: Maehr, H]]
	[[Category: Rochel, N]]		[[Category: Rochel, N]]

OCA at 12:03, 21 December 2014

OCA — Sun, 21 Dec 2014 12:03:06 GMT

←Older revision		Revision as of 12:03, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4ia7~~\| ~~PDB~~=4ia7 \| ~~SCENE~~= }}	+	==Diastereotopic and Deuterium Effects in Gemini==
-	===~~Diastereotopic and Deuterium Effects in Gemini~~===	+	<StructureSection load='4ia7' size='340' side='right' caption='[[4ia7]], [[Resolution\|resolution]] 2.70Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23566225}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4ia7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IA7 FirstGlance]. <br>
-	==Disease==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o1d\|3o1d]], [[3o1e\|3o1e]], [[2hcd\|2hcd]], [[4ia1\|4ia1]], [[4ia2\|4ia2]], [[4ia3\|4ia3]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">vdra, nr1i1a, vdr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Danio rerio])</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=4ia7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ia7 RCSB], [http://www.ebi.ac.uk/pdbsum/4ia7 PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
	[[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Note=Chromosomal aberrations involving NCOA2 may be a cause of acute myeloid leukemias. Inversion inv(8)(p11;q13) generates the KAT6A-NCOA2 oncogene, which consists of the N-terminal part of KAT6A and the C-terminal part of NCOA2/TIF2. KAT6A-NCOA2 binds to CREBBP and disrupts its function in transcription activation.		[[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Note=Chromosomal aberrations involving NCOA2 may be a cause of acute myeloid leukemias. Inversion inv(8)(p11;q13) generates the KAT6A-NCOA2 oncogene, which consists of the N-terminal part of KAT6A and the C-terminal part of NCOA2/TIF2. KAT6A-NCOA2 binds to CREBBP and disrupts its function in transcription activation.
-		+	== Function ==
-	==Function==	+
	[[http://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE]] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> [[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF-2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues.<ref>PMID:9430642</ref>		[[http://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE]] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> [[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF-2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues.<ref>PMID:9430642</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Changing the geminal methyl groups on 1alpha,25 dihydroxyvitamin D3 and its analogs to the deuterio versions generally improves the bioactivity. Derivatives of 1alpha,25 dihydroxyvitamin D3 with two chains emanating at C20, commonly referred to as gemini, are subject to the same phenomenon. Additionally, gemini with different side chains are susceptible to bioactivity differentials where the C17-20 threo configuration usually imparts higher activity than the corresponding erythro arrangement. In an effort to analyze the deuterium effect on gemini with minimal diastereotopic distortion, we synthesized gemini with equal side chains but introduced deuterium diastereospecifically on either chain. We solved the crystal structures of these compounds in the zebra fish zVDR ligand binding domain as complexes with NCoA-2 coactivator peptide and correlated the findings with growth inhibition in a breast cancer cell line.

-	~~==About this Structure==~~	+	Diastereotopic and Deuterium Effects in Gemini.,Maehr H, Rochel N, Lee HJ, Suh N, Milan UR J Med Chem. 2013 Apr 8. PMID:23566225<ref>PMID:23566225</ref>
-	~~[[4ia7]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Danio_rerio Danio rerio]~~. ~~Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:023566225</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Danio rerio]]		[[Category: Danio rerio]]
-	[[Category: Maehr, H.]]	+	[[Category: Maehr, H]]
-	[[Category: Rochel, N.]]	+	[[Category: Rochel, N]]
-	[[Category: Suh, N.]]	+	[[Category: Suh, N]]
-	[[Category: Uskokovic, M.]]	+	[[Category: Uskokovic, M]]
	[[Category: Alpha helical sandwich]]		[[Category: Alpha helical sandwich]]
	[[Category: Dna]]		[[Category: Dna]]

OCA at 14:04, 10 July 2013

OCA — Wed, 10 Jul 2013 14:04:01 GMT

←Older revision		Revision as of 14:04, 10 July 2013
Line 13:		Line 13:

	==Reference==		==Reference==
-	<references group="xtra"/><references/>	+	<ref group="xtra">PMID:023566225</ref><references group="xtra"/><references/>
	[[Category: Danio rerio]]		[[Category: Danio rerio]]
	[[Category: Maehr, H.]]		[[Category: Maehr, H.]]

OCA at 11:18, 24 April 2013

OCA — Wed, 24 Apr 2013 11:18:22 GMT

←Older revision		Revision as of 11:18, 24 April 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4ia7\| PDB=4ia7 \| SCENE= }}
		+	===Diastereotopic and Deuterium Effects in Gemini===
		+	{{ABSTRACT_PUBMED_23566225}}

-	~~The entry 4ia7 is ON HOLD until Paper Publication~~	+	==Disease==
		+	[[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Note=Chromosomal aberrations involving NCOA2 may be a cause of acute myeloid leukemias. Inversion inv(8)(p11;q13) generates the KAT6A-NCOA2 oncogene, which consists of the N-terminal part of KAT6A and the C-terminal part of NCOA2/TIF2. KAT6A-NCOA2 binds to CREBBP and disrupts its function in transcription activation.

-	~~Authors~~: ~~Maehr, H~~.~~, Rochel, N~~., ~~Suh,~~ N.~~, Uskokovic, M~~.	+	==Function==
		+	[[http://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE]] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> [[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF-2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues.<ref>PMID:9430642</ref>

-	~~Description~~: ~~Diastereotopic and Deuterium Effects in Gemini~~	+	==About this Structure==
		+	[[4ia7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA7 OCA].
		+
		+	==Reference==
		+	<references group="xtra"/><references/>
		+	[[Category: Danio rerio]]
		+	[[Category: Maehr, H.]]
		+	[[Category: Rochel, N.]]
		+	[[Category: Suh, N.]]
		+	[[Category: Uskokovic, M.]]
		+	[[Category: Alpha helical sandwich]]
		+	[[Category: Dna]]
		+	[[Category: Nucleus]]
		+	[[Category: Phosphorylation]]
		+	[[Category: Rxr]]
		+	[[Category: Transcription regulation]]
		+	[[Category: Transcription-transcription activator complex]]
		+	[[Category: Vdr-agonist complex]]

OCA at 11:05, 19 December 2012

OCA — Wed, 19 Dec 2012 11:05:20 GMT

←Older revision		Revision as of 11:05, 19 December 2012
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4ia7 is ON HOLD	+	The entry 4ia7 is ON HOLD until Paper Publication

	Authors: Maehr, H., Rochel, N., Suh, N., Uskokovic, M.		Authors: Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

	Description: Diastereotopic and Deuterium Effects in Gemini		Description: Diastereotopic and Deuterium Effects in Gemini

OCA: Protected "4ia7" [edit=sysop:move=sysop]

OCA — Wed, 12 Dec 2012 20:52:25 GMT

Protected "4ia7" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:52, 12 December 2012

OCA: New page: '''Unreleased structure''' The entry 4ia7 is ON HOLD Authors: Maehr, H., Rochel, N., Suh, N., Uskokovic, M. Description: Diastereotopic and Deuterium Effects in Gemini

OCA — Wed, 12 Dec 2012 20:52:24 GMT

New page: '''Unreleased structure''' The entry 4ia7 is ON HOLD Authors: Maehr, H., Rochel, N., Suh, N., Uskokovic, M. Description: Diastereotopic and Deuterium Effects in Gemini

New page

'''Unreleased structure'''

The entry 4ia7 is ON HOLD

Authors: Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

Description: Diastereotopic and Deuterium Effects in Gemini