5eth
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==RORy in complex with inverse agonist 3.== | |
| + | <StructureSection load='5eth' size='340' side='right' caption='[[5eth]], [[Resolution|resolution]] 2.80Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5eth]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ETH FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5RT:1-METHYL-~{N}-(1-THIOPHEN-2-YLCARBONYL-3,4-DIHYDRO-2~{H}-QUINOLIN-6-YL)-~{N}-[2,2,2-TRIS(FLUORANYL)ETHYL]INDOLE-4-SULFONAMIDE'>5RT</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=5eth FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eth OCA], [http://pdbe.org/5eth PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eth RCSB], [http://www.ebi.ac.uk/pdbsum/5eth PDBsum]</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 == | ||
| + | RORgamma plays a critical role in controlling a pro-inflammatory gene expression program in several lymphocyte lineages including T cells, gammadelta T cells, and innate lymphoid cells. RORgamma-mediated inflammation has been linked to susceptibility to Crohn's disease, arthritis, and psoriasis. Thus inverse agonists of RORgamma have the potential of modulating inflammation. Our goal was to optimize two RORgamma inverse agonists: T0901317 from literature and 1 that we obtained from internal screening. We used information from internal X-ray structures to design two libraries that led to a new biaryl series. | ||
| - | + | Discovery of biaryls as RORgamma inverse agonists by using structure-based design.,Enyedy IJ, Powell NA, Caravella J, van Vloten K, Chao J, Banerjee D, Marcotte D, Silvian L, McKenzie A, Hong VS, Fontenot JD Bioorg Med Chem Lett. 2016 Apr 1. pii: S0960-894X(16)30341-9. doi:, 10.1016/j.bmcl.2016.03.109. PMID:27080181<ref>PMID:27080181</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 5eth" style="background-color:#fffaf0;"></div> |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Marcotte, D M]] | ||
| + | [[Category: Inverse agonist]] | ||
| + | [[Category: Ror gamma]] | ||
| + | [[Category: Transcription]] | ||
Revision as of 12:04, 13 May 2016
RORy in complex with inverse agonist 3.
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