7ofk - Revision history

OCA at 12:49, 1 February 2024

OCA — Thu, 01 Feb 2024 12:49:50 GMT

←Older revision		Revision as of 12:49, 1 February 2024
Line 1:		Line 1:

-	====	+	==Ligand complex of RORg LBD==
-	<StructureSection load='7ofk' size='340' side='right'caption='[[7ofk]]' scene=''>	+	<StructureSection load='7ofk' size='340' side='right'caption='[[7ofk]], [[Resolution\|resolution]] 1.61Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7ofk]] 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=7OFK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OFK FirstGlance]. <br>
-	</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=7ofk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ofk OCA], [https://pdbe.org/7ofk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ofk RCSB], [https://www.ebi.ac.uk/pdbsum/7ofk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ofk ProSAT]</span></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]] 1.61Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=VCH:(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide'>VCH</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=7ofk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ofk OCA], [https://pdbe.org/7ofk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ofk RCSB], [https://www.ebi.ac.uk/pdbsum/7ofk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ofk ProSAT]</span></td></tr>
	</table>		</table>
		+	== 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.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Inverse agonists of the nuclear receptor RORC2 have been widely pursued as a potential treatment for a variety of autoimmune diseases. We have discovered a novel series of isoindoline-based inverse agonists of the nuclear receptor RORC2, derived from our recently disclosed RORC2 inverse agonist 2. Extensive structure-activity relationship (SAR) studies resulted in AZD0284 (20), which combined potent inhibition of IL-17A secretion from primary human T(H)17 cells with excellent metabolic stability and good PK in preclinical species. In two preclinical in vivo studies, compound 20 reduced thymocyte numbers in mice and showed dose-dependent reduction of IL-17A containing gammadelta-T cells and of IL-17A and IL-22 RNA in the imiquimod induced inflammation model. Based on these data and a favorable safety profile, 20 was progressed to phase 1 clinical studies.
		+
		+	AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.,Narjes F, Llinas A, von Berg S, Jirholt J, Lever S, Pehrson R, Collins M, Malmberg A, Svanberg P, Xue Y, Olsson RI, Malmberg J, Hughes G, Hossain N, Grindebacke H, Leffler A, Krutrok N, Back E, Ramnegard M, Lepisto M, Thunberg L, Aagaard A, McPheat J, Hansson EL, Chen R, Xiong Y, Hansson TG J Med Chem. 2021 Sep 23;64(18):13807-13829. doi: 10.1021/acs.jmedchem.1c01197. , Epub 2021 Aug 31. PMID:34464130<ref>PMID:34464130</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7ofk" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Aagaard A]]
		+	[[Category: Narjes F]]
		+	[[Category: Xue Y]]

OCA at 06:14, 16 March 2022

OCA — Wed, 16 Mar 2022 06:14:23 GMT

←Older revision		Revision as of 06:14, 16 March 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7ofk ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7ofk' size='340' side='right'caption='[[7ofk]]' scene=''>
-	~~Authors~~: ~~Xue, Y~~.~~, Aagaard, A~~.~~, Narjes, F~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
-	~~Description~~: ~~Ligand complex of RORg LBD~~	+	</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=7ofk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ofk OCA], [https://pdbe.org/7ofk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ofk RCSB], [https://www.ebi.ac.uk/pdbsum/7ofk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ofk ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Aagaard~~, A]]	+	__TOC__
-	[[Category: ~~Xue, Y~~]]	+	</StructureSection>
-	[[Category: ~~Narjes, F~~]]	+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 13:45, 17 June 2021

OCA — Thu, 17 Jun 2021 13:45:20 GMT

←Older revision		Revision as of 13:45, 17 June 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7ofk is ON HOLD	+	The entry 7ofk is ON HOLD until Paper Publication

	Authors: Xue, Y., Aagaard, A., Narjes, F.		Authors: Xue, Y., Aagaard, A., Narjes, F.

OCA: Protected "7ofk" [edit=sysop:move=sysop]

OCA — Wed, 12 May 2021 08:25:10 GMT

Protected "7ofk" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:25, 12 May 2021

OCA: New page: '''Unreleased structure''' The entry 7ofk is ON HOLD Authors: Xue, Y., Aagaard, A., Narjes, F. Description: Ligand complex of RORg LBD Category: Unreleased Structures [[Category: A...

OCA — Wed, 12 May 2021 08:25:09 GMT

New page: '''Unreleased structure''' The entry 7ofk is ON HOLD Authors: Xue, Y., Aagaard, A., Narjes, F. Description: Ligand complex of RORg LBD Category: Unreleased Structures [[Category: A...

New page

'''Unreleased structure'''

The entry 7ofk is ON HOLD

Authors: Xue, Y., Aagaard, A., Narjes, F.

Description: Ligand complex of RORg LBD
[[Category: Unreleased Structures]]
[[Category: Aagaard, A]]
[[Category: Xue, Y]]
[[Category: Narjes, F]]