5lwp - Revision history

OCA at 18:53, 18 October 2023

2023-10-18T18:53:54Z

←Older revision		Revision as of 18:53, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='5lwp' size='340' side='right'caption='[[5lwp]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='5lwp' size='340' side='right'caption='[[5lwp]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lwp]] is a 1 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=5LWP OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LWP FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lwp]] 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=5LWP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LWP FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=79U:4~~-[3-[~~2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY~~]~~-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL~~]~~BENZOIC+ACID'>79U</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]] 2.4Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=79U:4-[3-[2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY]-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL]BENZOIC+ACID'>79U</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=5lwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lwp OCA], [~~http~~://pdbe.org/5lwp PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lwp RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lwp PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lwp 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=5lwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lwp OCA], [https://pdbe.org/5lwp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lwp RCSB], [https://www.ebi.ac.uk/pdbsum/5lwp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lwp 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 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bouix-Peter, C]]	+	[[Category: Bouix-Peter C]]
-	[[Category: Chantalat, L]]	+	[[Category: Chantalat L]]
-	[[Category: Christin, O]]	+	[[Category: Christin O]]
-	[[Category: Ciesielski, F]]	+	[[Category: Ciesielski F]]
-	[[Category: Comino, C]]	+	[[Category: Comino C]]
-	[[Category: Duvert, D]]	+	[[Category: Duvert D]]
-	[[Category: Feret, C]]	+	[[Category: Feret C]]
-	[[Category: Harris~~, C S~~]]	+	[[Category: Harris CS]]
-	[[Category: Hennequin~~, L F~~]]	+	[[Category: Hennequin LF]]
-	[[Category: Luzy, A P]]	+	[[Category: Luzy A-P]]
-	[[Category: Musicki, B]]	+	[[Category: Musicki B]]
-	[[Category: Orfila, D]]	+	[[Category: Orfila D]]
-	[[Category: Ouvry, G]]	+	[[Category: Ouvry G]]
-	[[Category: Parnet, V]]	+	[[Category: Parnet V]]
-	[[Category: Pascau, J]]	+	[[Category: Pascau J]]
-	[[Category: Perrin, A]]	+	[[Category: Perrin A]]
-	[[Category: Pierre, R]]	+	[[Category: Pierre R]]
-	[[Category: Raffin, C]]	+	[[Category: Raffin C]]
-	[[Category: Rival, Y]]	+	[[Category: Rival Y]]
-	[[Category: Taquet, N]]	+	[[Category: Taquet N]]
-	[[Category: Thoreau, E]]	+	[[Category: Thoreau E]]
-	~~[[Category: Ror gamma allosteric ligand inverse agonistm]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 10:52, 12 August 2020

2020-08-12T10:52:32Z

←Older revision		Revision as of 10:52, 12 August 2020
Line 1:		Line 1:

	==Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists==		==Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists==
-	<StructureSection load='5lwp' size='340' side='right' caption='[[5lwp]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='5lwp' size='340' side='right'caption='[[5lwp]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lwp]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LWP OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LWP FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lwp]] is a 1 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=5LWP OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LWP FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=79U:4-[3-[2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY]-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL]BENZOIC+ACID'>79U</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=79U:4-[3-[2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY]-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL]BENZOIC+ACID'>79U</scene></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=5lwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lwp OCA], [http://pdbe.org/5lwp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lwp RCSB], [http://www.ebi.ac.uk/pdbsum/5lwp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lwp ProSAT]</span></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://proteopedia.org/fgij/fg.htm?mol=5lwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lwp OCA], [http://pdbe.org/5lwp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lwp RCSB], [http://www.ebi.ac.uk/pdbsum/5lwp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lwp ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bouix-Peter, C]]		[[Category: Bouix-Peter, C]]
	[[Category: Chantalat, L]]		[[Category: Chantalat, L]]

OCA at 19:28, 9 December 2016

2016-12-09T19:28:04Z

←Older revision		Revision as of 19:28, 9 December 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5lwp is ~~ON HOLD until Paper~~ Publication	+	==Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists==
		+	<StructureSection load='5lwp' size='340' side='right' caption='[[5lwp]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5lwp]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LWP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LWP FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=79U:4-[3-[2-CHLORANYL-6-(TRIFLUOROMETHYL)PHENOXY]-5-(DIMETHYLCARBAMOYL)INDAZOL-1-YL]BENZOIC+ACID'>79U</scene></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=5lwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lwp OCA], [http://pdbe.org/5lwp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lwp RCSB], [http://www.ebi.ac.uk/pdbsum/5lwp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lwp 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 ==
		+	Targeting the IL17 pathway and more specifically the nuclear receptor RORgamma is thought to be beneficial in multiple skin disorders. The Letter describes the discovery of phenoxyindazoles and thiophenoxy indazoles as potent RORgamma inverse agonists. Optimization of the potency and efforts to mitigate the phototoxic liability of the series are presented. Finally, crystallization of the lead compound revealed that the series bound to an allosteric site of the nuclear receptor. Such compounds could be useful as tool compounds for understanding the impact of topical treatment on skin disease models.

-	~~Authors:~~ Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Feret, C., Harris, ~~C.S.~~, Luzy~~, A.-P.~~, Musicki, B., Orfila, D., Pascau, J., Parnet, V., Perrin, A., Pierre, R., Raffin, C., Rival, Y., Taquet, N., Thoreau, E., Hennequin, L.F.	+	Discovery of phenoxyindazoles and phenylthioindazoles as RORgamma inverse agonists.,Ouvry G, Bouix-Peter C, Ciesielski F, Chantalat L, Christin O, Comino C, Duvert D, Feret C, Harris CS, Lamy L, Luzy AP, Musicki B, Orfila D, Pascau J, Parnet V, Perrin A, Pierre R, Polge G, Raffin C, Rival Y, Taquet N, Thoreau E, Hennequin LF Bioorg Med Chem Lett. 2016 Dec 1;26(23):5802-5808. doi:, 10.1016/j.bmcl.2016.10.023. Epub 2016 Oct 12. PMID:27815118<ref>PMID:27815118</ref>

-	~~Description: Discovery~~ of ~~phenoxyindazoles and phenylthioindazoles as RORg inverse agonists~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Ouvry, G]]~~	+	<div class="pdbe-citations 5lwp" style="background-color:#fffaf0;"></div>
-	~~[[Category: Taquet, N]]~~	+	== References ==
-	~~[[Category: Thoreau, E]]~~	+	<references/>
-	~~[[Category: Duvert, D]]~~	+	__TOC__
-	~~[[Category: Christin, O]]~~	+	</StructureSection>
	[[Category: Bouix-Peter, C]]		[[Category: Bouix-Peter, C]]
		+	[[Category: Chantalat, L]]
		+	[[Category: Christin, O]]
		+	[[Category: Ciesielski, F]]
		+	[[Category: Comino, C]]
		+	[[Category: Duvert, D]]
		+	[[Category: Feret, C]]
		+	[[Category: Harris, C S]]
		+	[[Category: Hennequin, L F]]
		+	[[Category: Luzy, A P]]
	[[Category: Musicki, B]]		[[Category: Musicki, B]]
-	[[Category: ~~Luzy~~, ~~A.-P~~]]	+	[[Category: Orfila, D]]
-	[[Category: ~~Raffin~~, C]]	+	[[Category: Ouvry, G]]
-	[[Category: ~~Pierre~~, R]]	+	[[Category: Parnet, V]]
	[[Category: Pascau, J]]		[[Category: Pascau, J]]
-	[[Category: Hennequin, L.F]]
	[[Category: Perrin, A]]		[[Category: Perrin, A]]
-	[[Category: ~~Orfila~~, D]]	+	[[Category: Pierre, R]]
-	[[Category: ~~Feret~~, C]]	+	[[Category: Raffin, C]]
-	~~[[Category: Ciesielski, F~~]]	+
	[[Category: Rival, Y]]		[[Category: Rival, Y]]
-	[[Category: ~~Parnet~~, V]]	+	[[Category: Taquet, N]]
-	[[Category: ~~Comino~~, C]]	+	[[Category: Thoreau, E]]
-	[[Category: ~~Harris, C.S~~]]	+	[[Category: Ror gamma allosteric ligand inverse agonistm]]
-	[[Category: ~~Chantalat, L~~]]	+	[[Category: Transcription]]

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

2016-10-03T14:48:00Z

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

←Older revision

Revision as of 14:48, 3 October 2016

OCA: New page: '''Unreleased structure''' The entry 5lwp is ON HOLD until Paper Publication Authors: Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Fe...

2016-10-03T14:47:58Z

New page: '''Unreleased structure''' The entry 5lwp is ON HOLD until Paper Publication Authors: Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Fe...

New page

'''Unreleased structure'''

The entry 5lwp is ON HOLD until Paper Publication

Authors: Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Feret, C., Harris, C.S., Luzy, A.-P., Musicki, B., Orfila, D., Pascau, J., Parnet, V., Perrin, A., Pierre, R., Raffin, C., Rival, Y., Taquet, N., Thoreau, E., Hennequin, L.F.

Description: Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
[[Category: Unreleased Structures]]
[[Category: Ouvry, G]]
[[Category: Taquet, N]]
[[Category: Thoreau, E]]
[[Category: Duvert, D]]
[[Category: Christin, O]]
[[Category: Bouix-Peter, C]]
[[Category: Musicki, B]]
[[Category: Luzy, A.-P]]
[[Category: Raffin, C]]
[[Category: Pierre, R]]
[[Category: Pascau, J]]
[[Category: Hennequin, L.F]]
[[Category: Perrin, A]]
[[Category: Orfila, D]]
[[Category: Feret, C]]
[[Category: Ciesielski, F]]
[[Category: Rival, Y]]
[[Category: Parnet, V]]
[[Category: Comino, C]]
[[Category: Harris, C.S]]
[[Category: Chantalat, L]]