5ejv

From Proteopedia

(Difference between revisions)

Revision as of 07:02, 22 April 2020

RORy in complex with T090131718 and Coactivator peptide EBI96

Structural highlights

5ejv is a 4 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Gene:	RORC, NR1F3, RORG, RZRG (HUMAN)
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

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^[1]

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

References

↑ Enyedy IJ, Powell NA, Caravella J, van Vloten K, Chao J, Banerjee D, Marcotte D, Silvian L, McKenzie A, Hong VS, Fontenot JD. Discovery of biaryls as RORgamma inverse agonists by using structure-based design. Bioorg Med Chem Lett. 2016 Apr 1. pii: S0960-894X(16)30341-9. doi:, 10.1016/j.bmcl.2016.03.109. PMID:27080181 doi:http://dx.doi.org/10.1016/j.bmcl.2016.03.109

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/5ejv"

@@ Line 1: / Line 1: @@
 ==RORy in complex with T090131718 and Coactivator peptide EBI96==
-<StructureSection load='5ejv' size='340' side='right' caption='[[5ejv]], [[Resolution|resolution]] 2.58&Aring;' scene=''>
+<StructureSection load='5ejv' size='340' side='right'caption='[[5ejv]], [[Resolution|resolution]] 2.58&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5ejv]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EJV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EJV FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5ejv]] is a 4 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=5EJV OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5EJV FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE'>444</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE'>444</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=5ejv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ejv OCA], [http://pdbe.org/5ejv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ejv RCSB], [http://www.ebi.ac.uk/pdbsum/5ejv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ejv 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=5ejv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ejv OCA], [http://pdbe.org/5ejv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ejv RCSB], [http://www.ebi.ac.uk/pdbsum/5ejv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ejv ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 22: / Line 23: @@
 __TOC__
 </StructureSection>
+[[Category: Human]]
+[[Category: Large Structures]]
 [[Category: Marcotte, D M]]
 [[Category: Coactivator peptide]]

5ejv

From Proteopedia

Revision as of 07:02, 22 April 2020

RORy in complex with T090131718 and Coactivator peptide EBI96

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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