NEW TEMPLATE - STRUCTURE DETERMINATION AND PROTEIN-LIGAND INTERACTIONS

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 硫氧还蛋白对维持细胞内适当的硫醇氧化还原状态很重要。我们正在研究硫氧还蛋白及其与硫氧还蛋白还原酶的相互作用，这些酶来自被认为是药物靶标的细菌。为此，我们正在确定这些硫氧还蛋白的三维结构，并探索它们与硫氧还蛋白还原酶伙伴的相互作用(结合表面)。这一点以及其他保护也集中在药物设计以及指导药物设计的蛋白质-配体相互作用的研究上。这包括对蛋白质配体复合体的核磁共振分析，包括使用我的实验室专门从事的“片段组装”技术设计的配体。除了表征结合界面，我们还对结合时蛋白质和配体的动态变化感兴趣。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Thioredoxin proteins are important for maintaining the proper thiol redox state in cells. We are studying thioredoxinsw, and their interactions with thioredoxin reductases, from bacteria that are considered drug targets. To this end, we are determining the 3-dimensional structures of these thioredoxin proteins, and exploring their interactions (binding surfaces) with thioredoxin reductase partners.This, and other protects, are also focused on drug design, and studies of protein-ligand interactions to guide drug design. This involves NMR analysis of protein ligand complexes, including ligands that are designed using "fragment-assembly" techniques that my lab specializes in. Besides characterizing binding interfaces, we are also interested in changes to dynamic state of the protein and ligand, upon binding.