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    Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH
    1.
    发明授权
    Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH 失效
    晶体，分子复合物，以及开发用于细菌IMPDH抑制剂的铅化合物的方法

    公开(公告)号：US06826488B1

    公开(公告)日：2004-11-30

    申请号：US09533466

    申请日：2000-03-23

    申请人： Frank R. Collart ,  Eliezer Huberman ,  Andrezej Joachimiak ,  Rongguang Zhang ,  Edwin M. Westbrook

    发明人： Frank R. Collart ,  Eliezer Huberman ,  Andrezej Joachimiak ,  Rongguang Zhang ,  Edwin M. Westbrook

    IPC分类号： G06F1900

    CPC分类号： C12N9/0006 ,  C07K2299/00 ,  C12Y101/01205

    摘要： The present invention relates to a data storage medium encoded with the structural coordinates of crystallized molecules and molecular complexes which comprise the active site binding pockets of bacterial IMPDH. Such data storage material is capable of displaying such molecules and molecular complexes, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen and design compounds, including inhibitory compounds, that bind to IMPDH or homologues thereof. This invention also relates to molecules and molecular complexes that comprise the active site binding pockets of IMPDH or close structural homologues of the active site binding pockets. This invention also relates to compounds and pharmaceutical compositions which are inhibitors of bacterial IMPDH.

    摘要翻译： 本发明涉及用结构化分子和分子复合物的结构坐标编码的数据存储介质，其包含细菌IMPDH的活性位点结合口袋。 这样的数据存储材料能够在计算机屏幕上显示这样的分子和分子复合物或其结构同系物作为图形三维表示。 本发明还涉及使用结构坐标来解决同源蛋白质或蛋白质复合物的结构的方法。 此外，本发明涉及使用结构坐标来筛选和设计结合IMPDH或其同系物的化合物（包括抑制性化合物）的方法。 本发明还涉及包含IMPDH的活性位点结合袋或活性位点结合口袋的紧密结构同系物的分子和分子复合物。 本发明还涉及作为细菌IMPDH抑制剂的化合物和药物组合物。