Exploring the differences in the structural characterisation of inhibitor binding between cryo- and room-temperature using multicrystal X-ray crystall

使用多晶 X 射线晶体探索低温和室温下抑制剂结合的结构特征差异

• 批准号: 2897123
• 金额: --
• 依托单位: Institute of Cancer Research
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2897123
• 关键词: Exploring; differences; structural; characterisation; inhibitor

Most inhibitor-bound protein structures used in structure-based drug design are determined using crystallographic data from single crystals collected at cryogenic temperatures. However, it remains difficult to routinely obtain single protein crystals large enough for high resolution data collection. This project aims to investigate if multicrystal, room temperature X-ray crystallography, in which X-ray data from many small crystals is collected at room temperature and merged to a complete dataset, is suitable for application in structure-based drug design. Differences in compound binding and differences in X-ray induced radiation damage to bound ligands between data collected at cryogenic- and room-temperature will be investigated.

使用从低温温度收集的单晶晶体学数据确定了用于基于结构的药物设计的大多数抑制剂结合蛋白结构。但是，通常很难获得足够大的单个蛋白质晶体，足以收集高分辨率数据。该项目旨在调查多晶，室温X射线晶体学是否在室温下收集了许多来自许多小晶体的X射线数据并合并到完整的数据集中，适合在基于结构的药物设计中应用。复合结合的差异和X射线诱导的辐射损害对低温和室温下收集的数据之间的结合配体的差异将得到研究。