NEW TEMPLATE - STRUCTURE DETERMINATION AND PROTEIN-LIGAND INTERACTIONS

新模板 - 结构测定和蛋白质-配体相互作用

• 批准号: 8361250
• 负责人: DANIEL S SEM
• 金额: $ 0.61万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-03-01 至 2012-02-29
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361250
• 关键词: Bacteria; Binding; Cells; Complex; Drug Delivery Systems; Drug Design; Funding; Grant; Ligands; National Center for Research Resources; Oxidation-Reduction; Principal Investigator; Protein Analysis; Proteins; Research; Research Infrastructure; Resources; Source; Structure; Sulfhydryl Compounds; Surface; Techniques; Thioredoxin; United States National Institutes of Health; cost; design; interest; thioredoxin reductase; three dimensional structure

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.

该副本是利用资源的众多研究子项目之一 由NIH/NCRR资助的中心赠款提供。对该子弹的主要支持 而且，副投影的主要研究员可能是其他来源提供的 包括其他NIH来源。 列出的总费用可能 代表subproject使用的中心基础架构的估计量， NCRR赠款不直接向子弹或副本人员提供的直接资金。 硫氧还蛋白蛋白对于维持细胞中适当的硫代氧化还原态很重要。我们正在研究硫氧蛋白毒素及其与硫氧还蛋白还原酶的相互作用，这些细菌被认为是药物靶标。为此，我们确定了这些硫氧还蛋白蛋白的3维结构，并探索了它们与硫氧还蛋白还原酶伴侣的相互作用（结合表面）。这和其他保护剂也集中在药物设计上，并研究蛋白质 - 蛋白质 - 蛋白质 - 蛋白质相互作用以指导药物设计。这涉及对蛋白质配体复合物的NMR分析，包括使用我的实验室专门研究的“片段组装”技术设计的配体。除了表征结合界面外，我们还对蛋白质和配体动态状态的变化感兴趣。