5ufo - Revision history

OCA at 14:26, 6 March 2024

2024-03-06T14:26:59Z

←Older revision		Revision as of 14:26, 6 March 2024
Line 3:		Line 3:
	<StructureSection load='5ufo' size='340' side='right'caption='[[5ufo]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='5ufo' size='340' side='right'caption='[[5ufo]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ufo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5UFO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ufo]] is a 1 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=5UFO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UFO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL'>87J</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]] 2.802Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ufr\|5ufr]]~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL'>87J</scene></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=5ufo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufo OCA], [~~http~~://pdbe.org/5ufo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5ufo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5ufo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufo 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=5ufo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufo OCA], [https://pdbe.org/5ufo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ufo RCSB], [https://www.ebi.ac.uk/pdbsum/5ufo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufo 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;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORgammat) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORgammat inhibitory potency and inverse agonism properties.	+
-		+
-	Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORgammat.,Kummer DA, Cummings MD, Abad M, Barbay J, Castro G, Wolin R, Kreutter KD, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Urbanski M, Venkatesan H, Wang A, Woods C, Xue X, Edwards JP, Fourie AM, Leonard K Bioorg Med Chem Lett. 2017 Feb 21. pii: S0960-894X(17)30163-4. doi:, 10.1016/j.bmcl.2017.02.044. PMID:28318945<ref>PMID:28318945</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 5ufo" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Spurlino, J]]	+	[[Category: Spurlino J]]
-	~~[[Category: Nuclear hormone receptor]]~~	+
-	~~[[Category: Nuclear protein~~]]	+

OCA at 12:35, 23 September 2020

2020-09-23T12:35:14Z

←Older revision		Revision as of 12:35, 23 September 2020
Line 1:		Line 1:

	==Structure of RORgt bound to==		==Structure of RORgt bound to==
-	<StructureSection load='5ufo' size='340' side='right' caption='[[5ufo]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='5ufo' size='340' side='right'caption='[[5ufo]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ufo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFO OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5UFO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ufo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFO OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5UFO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL'>87J</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL'>87J</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ufr\|5ufr]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ufr\|5ufr]]</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=5ufo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufo OCA], [http://pdbe.org/5ufo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufo RCSB], [http://www.ebi.ac.uk/pdbsum/5ufo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufo 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=5ufo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufo OCA], [http://pdbe.org/5ufo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufo RCSB], [http://www.ebi.ac.uk/pdbsum/5ufo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufo ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Spurlino, J]]		[[Category: Spurlino, J]]
	[[Category: Nuclear hormone receptor]]		[[Category: Nuclear hormone receptor]]
	[[Category: Nuclear protein]]		[[Category: Nuclear protein]]

OCA at 13:23, 5 April 2017

2017-04-05T13:23:34Z

←Older revision		Revision as of 13:23, 5 April 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5ufo is ~~ON HOLD until Paper~~ Publication	+	==Structure of RORgt bound to==
		+	<StructureSection load='5ufo' size='340' side='right' caption='[[5ufo]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5ufo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFO FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=87J:(S)-{4-CHLORO-2-METHOXY-3-[4-(METHYLSULFONYL)PHENYL]QUINOLIN-6-YL}(1-METHYL-1H-IMIDAZOL-5-YL)[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANOL'>87J</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ufr\|5ufr]]</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=5ufo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufo OCA], [http://pdbe.org/5ufo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufo RCSB], [http://www.ebi.ac.uk/pdbsum/5ufo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufo ProSAT]</span></td></tr>
		+	</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;">
		+	== Publication Abstract from PubMed ==
		+	A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORgammat) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORgammat inhibitory potency and inverse agonism properties.

-	~~Authors~~:	+	Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORgammat.,Kummer DA, Cummings MD, Abad M, Barbay J, Castro G, Wolin R, Kreutter KD, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Urbanski M, Venkatesan H, Wang A, Woods C, Xue X, Edwards JP, Fourie AM, Leonard K Bioorg Med Chem Lett. 2017 Feb 21. pii: S0960-894X(17)30163-4. doi:, 10.1016/j.bmcl.2017.02.044. PMID:28318945<ref>PMID:28318945</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5ufo" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Spurlino, J]]
		+	[[Category: Nuclear hormone receptor]]
		+	[[Category: Nuclear protein]]

OCA at 14:25, 9 March 2017

2017-03-09T14:25:39Z

←Older revision		Revision as of 14:25, 9 March 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5ufo is ON HOLD	+	The entry 5ufo is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "5ufo" [edit=sysop:move=sysop]

2017-01-18T14:51:06Z

Protected "5ufo" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:51, 18 January 2017

OCA: New page: '''Unreleased structure''' The entry 5ufo is ON HOLD Authors: Description: Category: Unreleased Structures

2017-01-18T14:51:05Z

New page: '''Unreleased structure''' The entry 5ufo is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5ufo is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]