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    LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY
    1.
    发明申请
    LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY 审中-公开
    通过X射线晶体学的配镜筛选和设计

    公开(公告)号：WO9945379A3

    公开(公告)日：1999-11-25

    申请号：PCT/US9904967

    申请日：1999-03-05

    Applicant: ABBOTT LAB

    Inventor： NIENABER VICKI L ,  GREER JONATHAN ,  ABAD-ZAPATERO CELERINO ,  NORBECK DANIEL W

    IPC: G01N33/50 ,  G01N23/20 ,  G01N33/15 ,  G01N33/53 ,  G01N33/68 ,  C30B7/00

    CPC classification number: G01N33/6845 ,  C07K2299/00 ,  C30B7/00 ,  G01N23/20 ,  G01N33/68 ,  G01N33/6803 ,  G01N33/6842 ,  G01N2333/9723 ,  G01N2500/00

    Abstract: X-ray crystallography can be used to screen compounds that are not known ligands of a target biomolecule for their ability to bind the target biomolecule. The method includes obtaining a crystal of a target biomolecule; exposing the target biomolecule crytal to one or more test samples; and obtaining an X-ray crystal diffraction pattern to determine whether a ligand/receptor complex is formed. The target is exposed to the test samples by either co-crystallizing a biomolecule in the presence of one or more test samples or soaking the biomolecule crystal in a solution of one or more test samples. In another embodiment, structural information from ligand/receptor complexes are used to design ligands that bind tighter, that bind more specifically, that have better biological activity or that have better safety profile. A further embodiment of the invention comprises identifying or designing biologically-active moieties by the instant process. In a further embodiment, a biomolecule crystal having an easily accessible active site is formed by co-crystallizing the biomolecule with a degradable ligand and degrading the ligand.

    Abstract translation: 可以使用X射线晶体学来筛选不具有目标生物分子配体的化合物，以获得其结合目标生物分子的能力。 该方法包括获得目标生物分子的晶体; 将目标生物分子口腔暴露于一个或多个测试样品; 并获得X射线晶体衍射图，以确定是否形成配体/受体复合物。 通过在一个或多个测试样品的存在下共生结晶生物分子或将生物分子晶体浸泡在一个或多个测试样品的溶液中，将靶标暴露于测试样品。 在另一个实施方案中，来自配体/受体复合物的结构信息用于设计更具结合性，更具体地具有更好生物活性或具有更好安全性的配体。 本发明的另一个实施方案包括通过本方法识别或设计生物活性部分。 在另一个实施方案中，具有易于接近的活性位点的生物分子晶体通过使生物分子与可降解配体共结晶并降解配体而形成。

    AUTOMATED SAMPLE HANDLING FOR X-RAY CRYSTALLOGRAPHY
    2.
    发明申请
    AUTOMATED SAMPLE HANDLING FOR X-RAY CRYSTALLOGRAPHY 审中-公开
    自动化样品处理用于X射线晶体学

    公开(公告)号：WO0111345A3

    公开(公告)日：2002-03-28

    申请号：PCT/US0021758

    申请日：2000-08-09

    Applicant: ABBOTT LAB

    Inventor： OLSON JEFFREY A ,  JONES RONALD B ,  NIENABER VICKI L ,  MUCHMORE STEVEN W ,  PAN JEFFREY Y ,  GREER JONATHAN

    IPC: G01N23/207 ,  G01N23/20 ,  G01N35/00

    CPC classification number: G01N23/20 ,  Y10T436/25

    Abstract: Method and apparatus for mounting a sample comprising a crystal for X-ray crystallographic analysis, a method for aligning a sample comprising a crystal for X-ray crystallographic analysis, which sample is mounted on a positioning device, and a method for determining the structure of a sample containing a crystal by means of X-ray crystallography.

    Abstract translation: 用于安装包括用于X射线晶体学分析的晶体的样品的方法和装置，用于将包含用于X射线晶体学分析的晶体的样品对准的方法，该样品安装在定位装置上，以及用于确定 通过X射线晶体学包含晶体的样品。

    LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY
    3.
    发明申请
    LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY 审中-公开
    通过X射线晶体学的配镜筛选和设计

    公开(公告)号：WO9945389A3

    公开(公告)日：2000-02-10

    申请号：PCT/US9904518

    申请日：1999-03-01

    Applicant: ABBOTT LAB

    Inventor： NIENABER VICKI L ,  GREER JONATHAN ,  ABAD-ZAPATERO CELERINO ,  NORBECK DANIEL W

    IPC: G01N33/50 ,  G01N23/20 ,  G01N33/15 ,  G01N33/53 ,  G01N33/68 ,  C30B7/00

    CPC classification number: G01N33/6845 ,  C07K2299/00 ,  C30B7/00 ,  G01N23/20 ,  G01N33/68 ,  G01N33/6803 ,  G01N33/6842 ,  G01N2333/9723 ,  G01N2500/00

    Abstract: X-ray crystallography can be used to screen compounds that are not known ligands of a target biomolecule for their ability to bind the target biomolecule. The method includes obtaining a crystal of a target biomolecule; exposing the target biomolecule crystal to one or more test samples; and obtaining an X-ray crystal diffraction pattern to determine whether a ligand/receptor complex is formed. The target is exposed to the test samples by either co-crystallizing a biomolecule in the presence of one or more test samples or soaking the biomolecule crystal in a solution of one or more test samples. In another embodiment, structural information from ligand/receptor complexes are used to design ligands that bind tighter, that bind more specifically, that have better biological activity or that have better safety profile. A further embodiment of the invention comprises identifying or designing biologically-active moieties by the instant process. In a further embodiment, a biomolecule crystal having an easily accessible active site is formed by co-crystallizing the biomolecule with a degradable ligand and degrading the ligand.

    Abstract translation: 可以使用X射线晶体学来筛选不具有目标生物分子配体的化合物，以获得其结合目标生物分子的能力。 该方法包括获得目标生物分子的晶体; 将目标生物分子晶体暴露于一个或多个测试样品; 并获得X射线晶体衍射图，以确定是否形成配体/受体复合物。 通过在一个或多个测试样品的存在下共生结晶生物分子或将生物分子晶体浸泡在一个或多个测试样品的溶液中，将靶标暴露于测试样品。 在另一个实施方案中，来自配体/受体复合物的结构信息用于设计更具结合性，更具体地具有更好生物活性或具有更好安全性的配体。 本发明的另一个实施方案包括通过本方法识别或设计生物活性部分。 在另一个实施方案中，具有易于接近的活性位点的生物分子晶体通过使生物分子与可降解配体共结晶并降解配体而形成。

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