3b0w - Revision history

OCA at 08:51, 11 October 2023

2023-10-11T08:51:23Z

←Older revision		Revision as of 08:51, 11 October 2023
Line 3:		Line 3:
	<StructureSection load='3b0w' size='340' side='right'caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='3b0w' size='340' side='right'caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3b0w]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3B0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3B0W FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=DGX:DIGOXIN'>DGX</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]] 2.2Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~RORC, NR1F3, RORG, RZRG ([https~~:/~~/www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [https://pdbe.org/3b0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [https://www.ebi.ac.uk/pdbsum/3b0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3b0w 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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [https://pdbe.org/3b0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [https://www.ebi.ac.uk/pdbsum/3b0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3b0w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN]] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.	+	[https://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ando, O]]	+	[[Category: Ando O]]
-	[[Category: Fujita-Sato, S]]	+	[[Category: Fujita-Sato S]]
-	[[Category: Isobe, T]]	+	[[Category: Isobe T]]
-	[[Category: Isono, F]]	+	[[Category: Isono F]]
-	[[Category: Ito, S]]	+	[[Category: Ito S]]
-	[[Category: Morishita, K]]	+	[[Category: Morishita K]]
-	[[Category: Ohyama, T]]	+	[[Category: Ohyama T]]
-	[[Category: Wakabayashi, K]]	+	[[Category: Wakabayashi K]]
-	~~[[Category: Antagonist]]~~	+
-	~~[[Category: Ligand-binding domain]]~~	+
-	~~[[Category: Orphan nuclear receptor]]~~	+
-	~~[[Category: Three-layered alpha helical sandwich]]~~	+
-	~~[[Category: Transcription-inhibitor complex~~]]	+

OCA at 11:19, 5 January 2022

2022-01-05T11:19:53Z

←Older revision		Revision as of 11:19, 5 January 2022
Line 1:		Line 1:

	==Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin==		==Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin==
-	<StructureSection load='3b0w' size='340' side='right' caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='3b0w' size='340' side='right'caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3B0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3b0w]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3B0W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RORC, NR1F3, RORG, RZRG ([~~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">RORC, NR1F3, RORG, RZRG ([https://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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [~~http~~://pdbe.org/3b0w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3b0w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3b0w 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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [https://pdbe.org/3b0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [https://www.ebi.ac.uk/pdbsum/3b0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3b0w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN]] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.	+	[[https://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN]] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Ando, O]]		[[Category: Ando, O]]
	[[Category: Fujita-Sato, S]]		[[Category: Fujita-Sato, S]]

OCA at 12:36, 5 August 2016

2016-08-05T12:36:18Z

←Older revision		Revision as of 12:36, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin==		==Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin==
	<StructureSection load='3b0w' size='340' side='right' caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='3b0w' size='340' side='right' caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3B0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3B0W FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RORC, NR1F3, RORG, RZRG ([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">RORC, NR1F3, RORG, RZRG ([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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [http://www.ebi.ac.uk/pdbsum/3b0w 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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [http://pdbe.org/3b0w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [http://www.ebi.ac.uk/pdbsum/3b0w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3b0w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 3b0w" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Ando, O]]		[[Category: Ando, O]]
	[[Category: Fujita-Sato, S]]		[[Category: Fujita-Sato, S]]

OCA at 18:54, 25 December 2014

2014-12-25T18:54:09Z

←Older revision		Revision as of 18:54, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3B0W FirstGlance]. <br>		<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3B0W FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RORC, NR1F3, RORG, RZRG ([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">RORC, NR1F3, RORG, RZRG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [http://www.ebi.ac.uk/pdbsum/3b0w 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=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [http://www.ebi.ac.uk/pdbsum/3b0w PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN]] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 13:		Line 15:
	Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production.,Fujita-Sato S, Ito S, Isobe T, Ohyama T, Wakabayashi K, Morishita K, Ando O, Isono F J Biol Chem. 2011 Sep 9;286(36):31409-17. Epub 2011 Jul 6. PMID:21733845<ref>PMID:21733845</ref>		Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production.,Fujita-Sato S, Ito S, Isobe T, Ohyama T, Wakabayashi K, Morishita K, Ando O, Isono F J Biol Chem. 2011 Sep 9;286(36):31409-17. Epub 2011 Jul 6. PMID:21733845<ref>PMID:21733845</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
	== References ==		== References ==
Line 20:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Ando, O.]]	+	[[Category: Ando, O]]
-	[[Category: Fujita-Sato, S.]]	+	[[Category: Fujita-Sato, S]]
-	[[Category: Isobe, T.]]	+	[[Category: Isobe, T]]
-	[[Category: Isono, F.]]	+	[[Category: Isono, F]]
-	[[Category: Ito, S.]]	+	[[Category: Ito, S]]
-	[[Category: Morishita, K.]]	+	[[Category: Morishita, K]]
-	[[Category: Ohyama, T.]]	+	[[Category: Ohyama, T]]
-	[[Category: Wakabayashi, K.]]	+	[[Category: Wakabayashi, K]]
	[[Category: Antagonist]]		[[Category: Antagonist]]
	[[Category: Ligand-binding domain]]		[[Category: Ligand-binding domain]]

OCA at 11:07, 14 May 2014

2014-05-14T11:07:52Z

←Older revision		Revision as of 11:07, 14 May 2014
Line 1:		Line 1:
-	[[~~Image:~~3b0w.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin==
		+	<StructureSection load='3b0w' size='340' side='right' caption='[[3b0w]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3b0w]] is a 2 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=3B0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3B0W FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGX:DIGOXIN'>DGX</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RORC, NR1F3, RORG, RZRG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3b0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3b0w RCSB], [http://www.ebi.ac.uk/pdbsum/3b0w PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The retinoic acid-related orphan nuclear receptor gammat (RORgammat)/RORgamma2 is well known as a master regulator of interleukin 17 (IL-17)-producing helper T (Th17) cell development. To develop a therapeutic agent against Th17-mediated autoimmune diseases, we screened chemical compounds and successfully found that digoxin inhibited IL-17 production. Further studies revealed that digoxin bound to the ligand binding domain of RORgammat and suppressed Th17 differentiation without affecting Th1 differentiation. To better understand the structural basis for the inhibitory activity of digoxin, we determined the crystal structure of the RORgammat ligand-binding domain in complex with digoxin at 2.2 A resolution. The structure reveals that digoxin binds to the ligand-binding pocket protruding between helices H3 and H11 from the pocket. In addition, digoxin disrupts the key interaction important for the agonistic activity, resulting in preventing the positioning of helix H12 in the active conformation, thus antagonizing coactivator interaction. Functional studies demonstrated that digoxin inhibited RORgammat activity and decreased IL-17 production but not RORalpha activity. Digoxin inhibited IL-17 production in CD4(+) T cells from experimental autoimmune encephalomyelitis mice. Our data indicates that RORgammat is a promising therapeutic target for Th17-derived autoimmune diseases and our structural data will help to design novel RORgammat antagonists.

-	<!--	+	Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production.,Fujita-Sato S, Ito S, Isobe T, Ohyama T, Wakabayashi K, Morishita K, Ando O, Isono F J Biol Chem. 2011 Sep 9;286(36):31409-17. Epub 2011 Jul 6. PMID:21733845<ref>PMID:21733845</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_3b0w"~~, ~~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_3b0w\| PDB=3b0w \| SCENE= }}~~	+

-	~~===Crystal structure~~ of the ~~orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_21733845}}, adds the Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21733845 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21733845}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3b0w]] is a 2 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=3B0W OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021733845<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Ando, O.]]		[[Category: Ando, O.]]

OCA at 05:01, 28 September 2011

2011-09-28T05:01:51Z

←Older revision		Revision as of 05:01, 28 September 2011
Line 1:		Line 1:
-	[[Image:3b0w.~~jpg~~\|left\|200px]]	+	[[Image:3b0w.png\|left\|200px]]

	<!--		<!--
Line 11:		Line 11:
	===Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin===		===Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21733845}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21733845 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21733845}}

	==About this Structure==		==About this Structure==
	[[3b0w]] is a 2 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=3B0W OCA].		[[3b0w]] is a 2 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=3B0W OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021733845</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Ando, O.]]		[[Category: Ando, O.]]
-	[[Category: Fujita-Sato, F.]]	+	[[Category: Fujita-Sato, S.]]
	[[Category: Isobe, T.]]		[[Category: Isobe, T.]]
	[[Category: Isono, F.]]		[[Category: Isono, F.]]
Line 27:		Line 36:
	[[Category: Orphan nuclear receptor]]		[[Category: Orphan nuclear receptor]]
	[[Category: Three-layered alpha helical sandwich]]		[[Category: Three-layered alpha helical sandwich]]
-	[[Category: Transcription]]	+	[[Category: Transcription-inhibitor complex]]

OCA at 18:56, 6 July 2011

2011-07-06T18:56:22Z

←Older revision		Revision as of 18:56, 6 July 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3b0w.jpg\|left\|200px]]

-	The ~~entry 3b0w~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3b0w", 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_3b0w\| PDB=3b0w \| SCENE= }}

-	~~Authors: Fujita~~-~~Sato, F., Ito, S., Isobe, T., Ohyama, T., Wakabayashi, K., Morishita, K., Ando, O., Isono, F.~~	+	===Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin===

-	~~Description: Crystal~~ structure ~~of the orphan nuclear receptor ROR(gamma)t ligand~~-binding domain ~~in complex with digoxin~~	+
		+	==About this Structure==
		+	[[3b0w]] is a 2 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=3B0W OCA].
		+	[[Category: Homo sapiens]]
		+	[[Category: Ando, O.]]
		+	[[Category: Fujita-Sato, F.]]
		+	[[Category: Isobe, T.]]
		+	[[Category: Isono, F.]]
		+	[[Category: Ito, S.]]
		+	[[Category: Morishita, K.]]
		+	[[Category: Ohyama, T.]]
		+	[[Category: Wakabayashi, K.]]
		+	[[Category: Antagonist]]
		+	[[Category: Ligand-binding domain]]
		+	[[Category: Orphan nuclear receptor]]
		+	[[Category: Three-layered alpha helical sandwich]]
		+	[[Category: Transcription]]

OCA: Protected "3b0w" [edit=sysop:move=sysop]

2011-06-22T16:09:38Z

Protected "3b0w" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:09, 22 June 2011

OCA: New page: '''Unreleased structure''' The entry 3b0w is ON HOLD Authors: Fujita-Sato, F., Ito, S., Isobe, T., Ohyama, T., Wakabayashi, K., Morishita, K., Ando, O., Isono, F. Description: Crystal ...

2011-06-22T16:09:37Z

New page: '''Unreleased structure''' The entry 3b0w is ON HOLD Authors: Fujita-Sato, F., Ito, S., Isobe, T., Ohyama, T., Wakabayashi, K., Morishita, K., Ando, O., Isono, F. Description: Crystal ...

New page

'''Unreleased structure'''

The entry 3b0w is ON HOLD

Authors: Fujita-Sato, F., Ito, S., Isobe, T., Ohyama, T., Wakabayashi, K., Morishita, K., Ando, O., Isono, F.

Description: Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin