6XP9

STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1

Summary for 6XP9

• Entry DOI: 10.2210/pdb6xp9/pdb
• Descriptor: Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion, (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, ... (4 entities in total)
• Functional Keywords: nuclear receptor, multiple binding modes, xenobiotic, promiscuous, ligand, nuclear hormone receptor, nuclear protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 80890.49

Authors

Khan, J.A. (deposition date: 2020-07-08, release date: 2020-09-23, Last modification date: 2023-10-18)

• Primary citation: Sivaprakasam, P.,Wang, Z.,Meanwell, N.A.,Khan, J.A.,Langley, D.R.,Johnson, S.R.,Li, G.,Pendri, A.,Connolly, T.P.,Gao, M.,Camac, D.M.,Klakouski, C.,Zvyaga, T.,Cianci, C.,McAuliffe, B.,Ding, B.,Discotto, L.,Krystal, M.R.,Jenkins, S.,Peese, K.M.,Narasimhulu Naidu, B.; Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.; Bioorg.Med.Chem.Lett., 30:127531-127531, 2020; PubMed: 32890685; DOI: 10.1016/j.bmcl.2020.127531

Experimental method

X-RAY DIFFRACTION (2.27 Å)