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Ligands
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99N [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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Code : 5NTK   PDBj   RCSB PDB   PDBe
Header : NUCLEAR PROTEIN
Title : Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Release Data : 2017-06-21
Compound :
mol_id molecule chains synonym
1 Nuclear receptor ROR-gamma A,B Nuclear receptor RZR-gamma,Nuclear receptor subfamily 1 group F member 3,RAR-related orphan receptor C,Retinoid-related orphan receptor-gamma
fragment: C-terminal domain, ligand binding domain
mutation: C455S
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:511693)
gene: RORC, NR1F3, RORG, RZRG
expression_system_strain: BL21
expression_system_vector_type: plasmid
expression_system_plasmid: pET28-derived vector
Authors : Kallen, J.
Keywords : nuclear hormone receptor, ligand-binding domain, inverse agonist, NUCLEAR PROTEIN
Exp. method : X-RAY DIFFRACTION ( 1.9000 Å )
Citation :

Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.

Kallen, J.,Izaac, A.,Be, C.  et al.
(2017)  ChemMedChem  12 : 1014 - 1021

PubMed: 28590087
DOI: 10.1002/cmdc.201700278

Chain : A, B
UniProt : P51449 (RORG_HUMAN)
Reaction : -