7RIU

human PXR LBD bound to GSK002

Summary for 7RIU

• Entry DOI: 10.2210/pdb7riu/pdb
• Related: 7N2A
• Descriptor: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide (3 entities in total)
• Functional Keywords: nuclear receptor, helical sandwhich, gene regulation
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34677.17

Authors

Williams, S.P.,Wisely, G.B.,Ward, P. (deposition date: 2021-07-20, release date: 2021-08-25, Last modification date: 2023-10-18)

• Primary citation: Ramanjulu, J.M.,Williams, S.P.,Lakdawala, A.S.,DeMartino, M.P.,Lan, Y.,Marquis, R.W.; Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.; Acs Med.Chem.Lett., 12:1396-1404, 2021; PubMed: 34531948; DOI: 10.1021/acsmedchemlett.1c00187

Experimental method

X-RAY DIFFRACTION (2.05 Å)