Hendlich M
Institute for Pharmaceutical Chemistry, University of Marburg, Marbacher Weg 6, 35032 Marburg, Germany.
Acta Crystallogr D Biol Crystallogr. 1998 Nov 1;54(Pt 6 Pt 1):1178-82. doi: 10.1107/s0907444998007124.
Recent advances in experimental techniques have led to an enormous explosion of available data about protein-ligand complexes. To exploit the information that is hidden in these large data, collection tools for managing and accessing huge data collections are needed. This paper discusses databases for protein-ligand data which are accessible via the World Wide Web. A strong focus is placed on the ReLiBase database system which is a new three-dimensional database for storing and analysing structures of protein-ligand complexes currently deposited in the Brookhaven Protein Data Bank (PDB). ReLiBase contains efficient query tools for identifying and analysing ligands and protein-ligand complexes. Its application for structure-based drug design is illustrated.
实验技术的最新进展使得关于蛋白质-配体复合物的可用数据大量激增。为了挖掘隐藏在这些海量数据中的信息，需要有用于管理和访问海量数据集的收集工具。本文讨论了可通过万维网访问的蛋白质-配体数据数据库。重点介绍了ReLiBase数据库系统，它是一个新的三维数据库，用于存储和分析目前存放在布鲁克海文蛋白质数据库（PDB）中的蛋白质-配体复合物结构。ReLiBase包含用于识别和分析配体以及蛋白质-配体复合物的高效查询工具。文中还展示了其在基于结构的药物设计中的应用。
