5w4v - Revision history

OCA at 14:07, 4 October 2023

OCA — Wed, 04 Oct 2023 14:07:15 GMT

←Older revision		Revision as of 14:07, 4 October 2023
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	<StructureSection load='5w4v' size='340' side='right'caption='[[5w4v]], [[Resolution\|resolution]] 2.65Å' scene=''>		<StructureSection load='5w4v' size='340' side='right'caption='[[5w4v]], [[Resolution\|resolution]] 2.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5w4v]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W4V OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5W4V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5w4v]] is a 6 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=5W4V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5W4V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9WA:(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol'>9WA</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]] 2.65Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5w4r\|5w4r]]~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9WA:(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol'>9WA</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=5w4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w4v OCA], [~~http~~://pdbe.org/5w4v PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5w4v RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5w4v PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5w4v 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=5w4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w4v OCA], [https://pdbe.org/5w4v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5w4v RCSB], [https://www.ebi.ac.uk/pdbsum/5w4v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5w4v 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 ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hars, U]]	+	[[Category: Hars U]]
-	[[Category: Spurlino, J]]	+	[[Category: Spurlino J]]
-	~~[[Category: Nuclear protein]]~~	+
-	~~[[Category: Rorgt nuclear hormone receptor~~]]	+

OCA at 08:48, 30 September 2020

OCA — Wed, 30 Sep 2020 08:48:16 GMT

←Older revision		Revision as of 08:48, 30 September 2020
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	==Structure of RORgt bound to a tertiary alcohol==		==Structure of RORgt bound to a tertiary alcohol==
-	<StructureSection load='5w4v' size='340' side='right' caption='[[5w4v]], [[Resolution\|resolution]] 2.65Å' scene=''>	+	<StructureSection load='5w4v' size='340' side='right'caption='[[5w4v]], [[Resolution\|resolution]] 2.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5w4v]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W4V OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5W4V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5w4v]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W4V OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5W4V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9WA:(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol'>9WA</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9WA:(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol'>9WA</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5w4r\|5w4r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5w4r\|5w4r]]</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=5w4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w4v OCA], [http://pdbe.org/5w4v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w4v RCSB], [http://www.ebi.ac.uk/pdbsum/5w4v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w4v 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=5w4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w4v OCA], [http://pdbe.org/5w4v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w4v RCSB], [http://www.ebi.ac.uk/pdbsum/5w4v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w4v ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Hars, U]]		[[Category: Hars, U]]
	[[Category: Spurlino, J]]		[[Category: Spurlino, J]]
	[[Category: Nuclear protein]]		[[Category: Nuclear protein]]
	[[Category: Rorgt nuclear hormone receptor]]		[[Category: Rorgt nuclear hormone receptor]]

OCA at 08:28, 27 December 2017

OCA — Wed, 27 Dec 2017 08:28:29 GMT

←Older revision		Revision as of 08:28, 27 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5w4v is ~~ON HOLD~~	+	==Structure of RORgt bound to a tertiary alcohol==
		+	<StructureSection load='5w4v' size='340' side='right' caption='[[5w4v]], [[Resolution\|resolution]] 2.65Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5w4v]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W4V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W4V FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9WA:(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol'>9WA</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5w4r\|5w4r]]</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=5w4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w4v OCA], [http://pdbe.org/5w4v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w4v RCSB], [http://www.ebi.ac.uk/pdbsum/5w4v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w4v 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 ==
		+	We identified 6-substituted quinolines as modulators of the retinoic acid receptor-related orphan receptor gamma t (RORgammat). The synthesis of this class of RORgammat modulators is reported, and optimization of the substituents at the quinoline 6-position that produced compounds with high affinity for the receptor is detailed. This effort identified molecules that act as potent, full inverse agonists in a RORgammat-driven cell-based reporter assay. The X-ray crystal structures of two full inverse agonists from this chemical series bound to the RORgammat ligand binding domain are disclosed, and we highlight the interaction of a hydrogen-bond acceptor on the 6-position substituent of the inverse agonist with Glu379:NH as a conserved binding contact.

-	~~Authors~~:	+	6-Substituted quinolines as RORgammat inverse agonists.,Barbay JK, Cummings MD, Abad M, Castro G, Kreutter KD, Kummer DA, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Tanis VM, Urbanski M, Venkatesan H, Wang A, Woods C, Wolin R, Xue X, Edwards JP, Fourie AM, Leonard K Bioorg Med Chem Lett. 2017 Dec 1;27(23):5277-5283. doi:, 10.1016/j.bmcl.2017.10.027. Epub 2017 Oct 16. PMID:29079472<ref>PMID:29079472</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5w4v" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Hars, U]]
		+	[[Category: Spurlino, J]]
		+	[[Category: Nuclear protein]]
		+	[[Category: Rorgt nuclear hormone receptor]]

OCA: Protected "5w4v" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 14:26:47 GMT

Protected "5w4v" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:26, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5w4v is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 27 Sep 2017 14:26:45 GMT

New page: '''Unreleased structure''' The entry 5w4v is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5w4v is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]