5NTW

Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds

Summary for 5NTW

• Entry DOI: 10.2210/pdb5ntw/pdb
• Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: nuclear hormone receptor, ligand-binding domain, inverse agonist, signaling protein
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus : P51449 P48552
• Total number of polymer chains: 8
• Total formula weight: 130446.33

Authors

Kallen, J. (deposition date: 2017-04-28, release date: 2017-06-21, Last modification date: 2024-01-17)

• Primary citation: Kallen, J.,Izaac, A.,Be, C.,Arista, L.,Orain, D.,Kaupmann, K.,Guntermann, C.,Hoegenauer, K.,Hintermann, S.; Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.; ChemMedChem, 12:1014-1021, 2017; PubMed: 28590087; DOI: 10.1002/cmdc.201700278

Experimental method

X-RAY DIFFRACTION (1.64 Å)