7XQE

Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039

Summary for 7XQE

• Entry DOI: 10.2210/pdb7xqe/pdb
• Descriptor: Nuclear receptor ROR-gamma, 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, GLYCEROL, ... (5 entities in total)
• Functional Keywords: ror gamma, lbd, inhibitor, dna binding protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 63673.26

Authors

Wu, X.,Li, C.,Zhang, Y.,Xu, Y. (deposition date: 2022-05-07, release date: 2023-05-31, Last modification date: 2024-06-12)

• Primary citation: Wu, X.S.,Luo, X.Y.,Li, C.C.,Zhao, X.F.,Zhang, C.,Chen, X.S.,Lu, Z.F.,Wu, T.,Yu, H.N.,Peng, C.,Hu, Q.Q.,Shen, H.,Xu, Y.,Zhang, Y.; Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.; Acta Pharmacol.Sin., 2024; PubMed: 38698214; DOI: 10.1038/s41401-024-01274-z

Experimental method

X-RAY DIFFRACTION (2.57 Å)