5NI7

Ligand complex of RORg LBD

Summary for 5NI7

• Entry DOI: 10.2210/pdb5ni7/pdb
• Descriptor: Nuclear receptor ROR-gamma, The tethered SRC2-2 peptide, ~{N}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, ... (6 entities in total)
• Functional Keywords: rar-related orphan receptor-g (rorg), transcription, rorg ligand, structure-based design
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 35634.91

Authors

Xue, Y.,Aagaard, A.,Narjes, F. (deposition date: 2017-03-23, release date: 2018-08-22, Last modification date: 2024-01-17)

• Primary citation: Narjes, F.,Xue, Y.,von Berg, S.,Malmberg, J.,Llinas, A.,Olsson, R.I.,Jirholt, J.,Grindebacke, H.,Leffler, A.,Hossain, N.,Lepisto, M.,Thunberg, L.,Leek, H.,Aagaard, A.,McPheat, J.,Hansson, E.L.,Back, E.,Tangefjord, S.,Chen, R.,Xiong, Y.,Hongbin, G.,Hansson, T.G.; Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.; J. Med. Chem., 61:7796-7813, 2018; PubMed: 30095900; DOI: 10.1021/acs.jmedchem.8b00783

Experimental method

X-RAY DIFFRACTION (2.45 Å)