7RIO
human PXR LBD bound to GSK003
Summary for 7RIO
Entry DOI | 10.2210/pdb7rio/pdb |
Related | 7N2A |
Descriptor | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-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 | 34798.25 |
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 Cited by PubMed: 34531948DOI: 10.1021/acsmedchemlett.1c00187 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.48 Å) |
Structure validation
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