4nie
From Proteopedia
(Difference between revisions)
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4nie]] is a 4 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=4NIE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NIE FirstGlance]. <br> | <table><tr><td colspan='2'>[[4nie]] is a 4 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=4NIE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NIE FirstGlance]. <br> | ||
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMX:3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE'>DMX</scene>, <scene name='pdbligand=NBH:N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE'>NBH</scene></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]] 2.01Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMX:3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE'>DMX</scene>, <scene name='pdbligand=NBH:N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE'>NBH</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=4nie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nie OCA], [https://pdbe.org/4nie PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nie RCSB], [https://www.ebi.ac.uk/pdbsum/4nie PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nie ProSAT]</span></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=4nie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nie OCA], [https://pdbe.org/4nie PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nie RCSB], [https://www.ebi.ac.uk/pdbsum/4nie PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nie ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == 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. | [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 tertiary amines as retinoid-related orphan receptor gamma-t (RORgammat) inverse agonists was discovered through agonist/inverse agonist conversion. The level of RORgammat inhibition can be enhanced by modulating the conformational disruption of H12 in RORgammat LBD. Linker exploration and rational design led to the discovery of more potent indole-based RORgammat inverse agonists. | ||
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| - | Discovery of Tertiary Amine and Indole Derivatives as Potent RORgammat Inverse Agonists.,Yang T, Liu Q, Cheng Y, Cai W, Ma Y, Yang L, Wu Q, Orband-Miller LA, Zhou L, Xiang Z, Huxdorf M, Zhang W, Zhang J, Xiang JN, Leung S, Qiu Y, Zhong Z, Elliott JD, Lin X, Wang Y ACS Med Chem Lett. 2013 Nov 22;5(1):65-8. doi: 10.1021/ml4003875. eCollection, 2014 Jan 9. PMID:24900774<ref>PMID:24900774</ref> | ||
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| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| - | </div> | ||
| - | <div class="pdbe-citations 4nie" style="background-color:#fffaf0;"></div> | ||
| - | == References == | ||
| - | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Current revision
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
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