PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative

PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative Descriptor: (2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide, PH-interacting protein Authors: Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. Deposit date: 2022-12-06 Release date: 2022-12-21 Last modified: 2026-01-28 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Binding-Site Purification of Actives (B-SPA) Enables Efficient Large-Scale Progression of Fragment Hits by Combining Multi-Step Array Synthesis With HT Crystallography. Angew.Chem.Int.Ed.Engl., 64, 2025

PanDDA分析——PH相互作用蛋白（PH-interacting protein，PHIP）与Z198194396合成衍生物的共晶结构。配体标识符：(2R)-N-(2-甲氧基乙基)-2-甲基-4-噻吩-2-基羰基哌嗪-1-甲酰胺。作者：Grosjean, H、Aimon, A、Hassell-Hart, S、Bradshaw, W.J、Krojer, T、Talon, R、Douangamath, A、Koekemoer, L、Biggin, P.C、Spencer, J、von Delft, F。提交日期：2022年12月6日；发布日期：2022年12月21日；最后修改日期：2026年1月28日。实验方法：X射线衍射（分辨率1.35 Å）。引用文献：《结合位点活性成分纯化法（Binding-Site Purification of Actives, B-SPA）结合多步阵列合成与高通量晶体学（High-Throughput Crystallography, HT Crystallography）实现片段命中化合物（fragment hits）的高效规模化优化》，《Angew.Chem.Int.Ed.Engl.》，2025年，第64卷。