4nie | pdb_00004nie

Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand

spinqualitylabelsall models 4nie, resolution 2.01Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4nie 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: DMX, NBH Gene: NR1F3, RORC, 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 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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