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Ligands
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98E (S)-N-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide
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Code : 5NTP   PDBj   RCSB PDB   PDBe
Header : SIGNALING 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 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 BL21(DE3)  (taxid:469008)
gene: RORC, NR1F3, RORG, RZRG
expression_system_vector_type: plasmid
expression_system_plasmid: pET28-derived vector
Authors : Kallen, J.
Keywords : nuclear hormone receptor, ligand-binding domain, inverse agonist, signaling protein
Exp. method : X-RAY DIFFRACTION ( 1.7000 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
UniProt : P51449 (RORG_HUMAN)
Reaction : -