Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative

Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative Descriptor: 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... Authors: Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. Deposit date: 2021-07-06 Release date: 2022-07-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022

曼氏血吸虫（Schistosoma mansoni）组蛋白去乙酰化酶8（Histone deacetylase 8，HDAC8）与三环噻吩并[3,2-b]吲哚封端的异羟肟酸类溴代抑制剂结合的四分体孪生晶体结构。描述符：5-[[(2R)-7-溴-2-苯基-2,3-二氢噻吩并[3,2-b]吲哚-4-基]甲基]-N-羟基噻吩-2-甲酰胺、氯离子（CHLORIDE ION）、组蛋白去乙酰化酶8……作者：Saccoccia F、Gemma S、Campiani G、Ruberti G。沉积日期：2021年7月6日；发布日期：2022年7月20日；最后修改日期：2024年1月31日。实验方法：X射线衍射（分辨率2.3埃）。引用文献：《曼氏血吸虫组蛋白去乙酰化酶8的晶体结构揭示变构抑制剂的新型结合位点》，《生物化学杂志（J. Biol. Chem.）》，第298卷，2022年。