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4xt9

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Revision as of 17:51, 16 November 2017

RORgamma (263-509) complexed with GSK2435341A and SRC2

Structural highlights

4xt9 is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[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.

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ 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. Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent RORgammat inverse agonists. Bioorg Med Chem. 2015 Sep 1;23(17):5293-302. doi: 10.1016/j.bmc.2015.07.068. Epub, 2015 Aug 1. PMID:26277758 doi:http://dx.doi.org/10.1016/j.bmc.2015.07.068

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4xt9"

Categories: Homo sapiens | Ma, Y | Wang, Y | Unknown protein

@@ Line 1: / Line 1: @@
 ==RORgamma (263-509) complexed with GSK2435341A and SRC2==
 <StructureSection load='4xt9' size='340' side='right' caption='[[4xt9]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
@@ Line 4: / Line 5: @@
 <table><tr><td colspan='2'>[[4xt9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XT9 FirstGlance]. <br>
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4xt9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xt9 OCA], [http://pdbe.org/4xt9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xt9 RCSB], [http://www.ebi.ac.uk/pdbsum/4xt9 PDBsum]</span></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=4xt9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xt9 OCA], [http://pdbe.org/4xt9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xt9 RCSB], [http://www.ebi.ac.uk/pdbsum/4xt9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xt9 ProSAT]</span></td></tr>
 </table>
 == Function ==

4xt9

From Proteopedia

Revision as of 17:51, 16 November 2017

RORgamma (263-509) complexed with GSK2435341A and SRC2

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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