4xt9
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 4xt9 is ON HOLD Authors: Ma, Yingli Description: RORgamma (263-509) complexed with GSK2435341A and SRC2 Category: Unreleased Structures [[Categ...) |
|||
| (8 intermediate revisions not shown.) | |||
| Line 1: | Line 1: | ||
| - | '''Unreleased structure''' | ||
| - | + | ==RORgamma (263-509) complexed with GSK2435341A and SRC2== | |
| + | <StructureSection load='4xt9' size='340' side='right'caption='[[4xt9]], [[Resolution|resolution]] 2.25Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4xt9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XT9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XT9 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=43V:N-[4-(2,5-DICHLOROPHENYL)-5-PHENYL-1,3-THIAZOL-2-YL]-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE'>43V</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4xt9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xt9 OCA], [https://pdbe.org/4xt9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xt9 RCSB], [https://www.ebi.ac.uk/pdbsum/4xt9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xt9 ProSAT]</span></td></tr> | ||
| + | </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 == | ||
| + | A novel series of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as RORgammat inverse agonists was discovered. Binding mode analysis of a RORgammat partial agonist (2c) revealed by co-crystal structure in RORgammat LBD suggests that the inverse agonists do not directly interfere with the interaction between H12 and the RORgammat LBD. Detailed SAR exploration led to identification of potent RORgammat inverse agonists such as 3m with a pIC50 of 8.0. Selected compounds in the series showed reasonable activity in Th17 cell differentiation assay as well as low intrinsic clearance in mouse liver microsomes. | ||
| - | + | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent RORgammat inverse agonists.,Wang Y, Yang T, Liu Q, Ma Y, Yang L, Zhou L, Xiang Z, Cheng Z, Lu S, Orband-Miller LA, Zhang W, Wu Q, Zhang K, Li Y, Xiang JN, Elliott JD, Leung S, Ren F, Lin X Bioorg Med Chem. 2015 Sep 1;23(17):5293-302. doi: 10.1016/j.bmc.2015.07.068. Epub, 2015 Aug 1. PMID:26277758<ref>PMID:26277758</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: Ma | + | <div class="pdbe-citations 4xt9" style="background-color:#fffaf0;"></div> |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Synthetic construct]] | ||
| + | [[Category: Ma Y]] | ||
| + | [[Category: Wang Y]] | ||
Current revision
RORgamma (263-509) complexed with GSK2435341A and SRC2
| |||||||||||
