Crystal structure of the L411W mutant of pregnane X receptor ligand binding domain in complex with SJPYT-328

Crystal structure of the L411W mutant of pregnane X receptor ligand binding domain in complex with SJPYT-328 Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain tethered to steroid receptor coactivator-1 peptide Authors: Huber, A.D, Garcia-Maldonado, E, Miller, D.J, Chen, T. Deposit date: 2025-04-08 Release date: 2025-11-05 Last modified: 2026-01-21 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Subtle changes in ligand-receptor interactions dramatically alter transcriptional outcomes of pregnane X receptor modulators. Structure, 34, 2026

孕烷X受体（pregnane X receptor）配体结合域L411W突变体与SJPYT-328复合物的晶体结构。配体描述：(1P)-N-(5-叔丁基-2-{[(3S)-己烷-3-基]氧基}苯基)-1-(2,4-二甲氧基-5-甲基苯基)-5-甲基-1H-1,2,3-三唑-4-甲酰胺；融合有类固醇受体共激活因子-1肽的孕烷X受体配体结合域。作者：Huber, A.D.、Garcia-Maldonado, E.、Miller, D.J.、Chen, T.。提交日期：2025年4月8日；发布日期：2025年11月5日；最后修改日期：2026年1月21日。实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.56埃）。引用文献：配体-受体相互作用的细微变化可显著改变孕烷X受体调节剂的转录调控结局，《Structure》，第34卷，2026年。