6ESN

Ligand complex of RORg LBD

Summary for 6ESN

Entry DOI	10.2210/pdb6esn/pdb
Descriptor	Nuclear receptor ROR-gamma, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, ... (5 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	33063.95
Authors	Xue, Y.,Aagaard, A.,Narjes, F. (deposition date: 2017-10-23, release date: 2018-08-22, Last modification date: 2024-05-08)
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 Cited by PubMed: 30095900 DOI: 10.1021/acs.jmedchem.8b00783 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation