7N2A
human PXR LBD bound to compound 2
Summary for 7N2A
| Entry DOI | 10.2210/pdb7n2a/pdb |
| Descriptor | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one (3 entities in total) |
| Functional Keywords | nuclear receptor, helical sandwich, xenobiotics, gene regulation |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 34602.03 |
| Authors | Williams, S.P.,Wisely, G.B.,Ramanjulu, J.M. (deposition date: 2021-05-28, 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 (2.26 Å) |
Structure validation
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