公开(公告)号：US07383135B1

公开(公告)日：2008-06-03

申请号：US09706128

申请日：2000-11-03

申请人： Xiaoling Xie ,  Yong Gu ,  William Markland ,  Michael S Su ,  Paul R Caron ,  Edward Fox ,  Keith P Wilson

发明人： Xiaoling Xie ,  Yong Gu ,  William Markland ,  Michael S Su ,  Paul R Caron ,  Edward Fox ,  Keith P Wilson

IPC分类号： G01N33/48 ,  G01N33/50 ,  G06F19/00 ,  C07K17/00

CPC分类号： C12Q1/485 ,  C07K2299/00 ,  G01N2333/9121 ,  G01N2500/00 ,  G06F19/16

摘要： The present invention relates to a data storage medium encoded with the corresponding structure coordinates of molecules and molecular complexes which comprise the active site-binding pockets of JNK3. A computer comprising 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 JNK3 or homologues thereof. This invention also relates to molecules and molecular complexes which comprise the active site binding pockets of JNK3 or close structural homologues of the active site binding pockets.

摘要翻译： 本发明涉及用包含JNK3的活性位点结合袋的分子和分子复合物的相应结构坐标编码的数据存储介质。 包括这种数据存储材料的计算机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筛选和设计与JNK3或其同系物结合的化合物（包括抑制性化合物）的方法。 本发明还涉及分子和分子复合物，其包含JNK3的活性位点结合口袋或活性位点结合口袋的紧密结构同源物。