8F5Y

Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1

Summary for 8F5Y

Entry DOI	10.2210/pdb8f5y/pdb
Descriptor	Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, ... (4 entities in total)
Functional Keywords	nuclear receptor, transcription factor, metabolism, antibiotic, transcription
Biological source	Homo sapiens (human) More
Total number of polymer chains	4
Total formula weight	78945.80
Authors	Huber, A.D.,Poudel, S.,Seetharaman, J.,Miller, D.J.,Chen, T. (deposition date: 2022-11-15, release date: 2024-02-21, Last modification date: 2024-03-06)
Primary citation	Huber, A.D.,Poudel, S.,Wu, J.,Miller, D.J.,Lin, W.,Yang, L.,Bwayi, M.N.,Rimmer, M.A.,Gee, R.R.F.,Seetharaman, J.,Chai, S.C.,Chen, T. A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52:1661-1676, 2024 Cited by PubMed: 38084912 DOI: 10.1093/nar/gkad1175 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation