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    Crystal structure of Rho-kinase I kinase domain complexes and binding pockets thereof
    7.
    发明申请
    Crystal structure of Rho-kinase I kinase domain complexes and binding pockets thereof 有权
    Rho激酶I激酶结构域复合物的晶体结构及其结合位点

    公开(公告)号：US20090036654A1

    公开(公告)日：2009-02-05

    申请号：US11478194

    申请日：2006-06-28

    申请人： Marc Jacobs ,  Koto Hayakawa ,  Mark Fleming ,  John Doran ,  Craig Marhefka

    发明人： Marc Jacobs ,  Koto Hayakawa ,  Mark Fleming ,  John Doran ,  Craig Marhefka

    IPC分类号： C07K14/00 ,  G06F17/50

    CPC分类号： C12N9/1205 ,  C07K2299/00

    摘要： The present invention relates to human Rho-kinase I (ROCK I), ROCK I binding pockets, ROCK I-like binding pockets. More particularly, the present invention provides a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. 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 for and design compounds, including inhibitory compounds, that bind to ROCK I protein or ROCK I protein homologues, or complexes thereof. The invention also relates to crystallizable compositions and crystals comprising ROCK I kinase domain and ROCK I kinase domain complexed with an inhibitor of that domain. The invention also relates to methods of identifying inhibitors of the ROCK I kinase domain.

    摘要翻译： 本发明涉及人Rho-kinase I（ROCK I），ROCK I结合口袋，ROCK I样结合口袋。 更具体地说，本发明提供了一种计算机，其包括用这种结合口袋的结构坐标编码的数据存储介质。 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筛选和设计结合ROCK I蛋白或ROCK I蛋白同源物的化合物（包括抑制性化合物）或其复合物的方法。 本发明还涉及包含与该结构域的抑制剂复合的ROCK I激酶结构域和ROCK I激酶结构域的可结晶组合物和晶体。 本发明还涉及鉴定ROCK I激酶结构域的抑制剂的方法。