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1.发明授权Structure of the farnesoid X receptor ligand binding domain and methods of use therefor 失效法呢酯X受体配体结合域的结构及其用途公开(公告)号：US07647217B2
公开(公告)日：2010-01-12
申请号：US10535042
申请日：2003-11-14
申请人： Michael R Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
发明人： Michael R Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
CPC分类号： C07K14/70567 , C07K2299/00 , G01N33/743 , G01N2500/00 , G06F19/16 , G06F19/706
摘要： The present invention provides compositions comprising the ligand binding domain (LBD) of a farnesoid X receptor (FXR) in crystalline form. In alternative embodiments, the LBD of FXR is complexed with a ligand therefor. There are provided high resolution structures of FXR complexed with a novel high affinity agonist, fexaramine. The discovered structure of a FXR LBD provides the first three-dimensional view of the structural basis for FXR ligand binding. The present invention further provides a computer for producing a three-dimensional representation of FXR or a complex thereof, and a computer for determining at least a portion of the structure coordinates of FXR or a complex thereof. The present invention further provides methods of using this structural information to predict molecules capable of binding to FXR; to identify compounds with agonist, antagonist or partial agonist activity for FXR; and to determine whether a test compound is capable of binding to the LBD of FXR. The present invention further provides compositions comprising compounds identified by such invention methods.
摘要翻译： 本发明提供了包含结晶形式的法呢甾X受体（FXR）的配体结合结构域（LBD）的组合物。 在替代实施方案中，FXR的LBD与其配体复合。 提供了与新型高亲和力激动剂fexaramine复合的FXR的高分辨率结构。 所发现的FXR LBD的结构提供了FXR配体结合的结构基础的第一个三维视图。 本发明还提供一种用于产生FXR或其复数的三维表示的计算机，以及用于确定FXR的结构坐标的至少一部分或其复合体的计算机。 本发明还提供使用该结构信息来预测能够结合FXR的分子的方法; 识别FXR激动剂，拮抗剂或部分激动剂活性的化合物; 并确定测试化合物是否能够结合FXR的LBD。 本发明还提供包含通过本发明方法鉴定的化合物的组合物。
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2.发明授权Structure of the farnesoid X receptor ligand binding domain and methods of use therefor 失效法呢酯X受体配体结合域的结构及其用途公开(公告)号：US08212006B2
公开(公告)日：2012-07-03
申请号：US12686347
申请日：2010-01-12
申请人： Michael R. Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
发明人： Michael R. Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
CPC分类号： C07K14/70567 , C07K2299/00 , G01N33/743 , G01N2500/00 , G06F19/16 , G06F19/706
摘要： The present invention provides compositions comprising the ligand binding domain (LBD) of a farnesoid X receptor (FXR) in crystalline form. In alternative embodiments, the LBD of FXR is complexed with a ligand therefor. There are provided high resolution structures of FXR complexed with a novel high affinity agonist fexaramine. The discovered structure of a FXR LBD provides the first three-dimensional view of the structural basis for FXR ligand binding. The present invention further provides a computer for producing a time-dimensional representation of FXR or a complex thereof, and a computer for determining at least a portion of the structure coordinates of FXR or a complex thereof. The present invention further provides methods of using this structural information to predict molecules capable of binding to FXR; to identify compounds with agonist, antagonist or partial agonist activity for FXR; and to determine whether a test compound is capable of binding to the LBD of FXR. The present invention further provides compositions comprising compounds identified by such invention methods.
摘要翻译： 本发明提供了包含结晶形式的法呢甾X受体（FXR）的配体结合结构域（LBD）的组合物。 在替代实施方案中，FXR的LBD与其配体复合。 提供了与新型高亲和力激动剂福沙康胺复合的FXR的高分辨率结构。 所发现的FXR LBD的结构提供了FXR配体结合的结构基础的第一个三维视图。 本发明还提供一种用于产生FXR或其复数的时间维度表示的计算机，以及用于确定FXR或其复数的结构坐标的至少一部分的计算机。 本发明还提供使用该结构信息来预测能够结合FXR的分子的方法; 识别FXR激动剂，拮抗剂或部分激动剂活性的化合物; 并确定测试化合物是否能够结合FXR的LBD。 本发明还提供包含通过本发明方法鉴定的化合物的组合物。
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3.发明申请STRUCTURE OF THE FARNESOID X RECEPTOR LIGAND BINDING DOMAIN AND METHODS OF USE THEREFOR 失效FARNESOID X受体配体结合域的结构及其使用方法公开(公告)号：US20110018866A1
公开(公告)日：2011-01-27
申请号：US12686347
申请日：2010-01-12
申请人： Michael R. Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
发明人： Michael R. Downes , Mark A. Verdicia , Joseph P. Noel , Ronald M. Evans , Lindsey J. Bowman , Marianne Bowman
IPC分类号： C07C229/44 , C07K14/72 , A61K38/16 , A61K31/216 , C07D317/58 , A61K31/36 , C07J9/00 , A61K31/575 , C07D261/08 , A61K31/42 , G06G7/58 , G06T15/00
CPC分类号： C07K14/70567 , C07K2299/00 , G01N33/743 , G01N2500/00 , G06F19/16 , G06F19/706
摘要： The present invention provides compositions comprising the ligand binding domain (LBD) of a farnesoid X receptor (FXR) in crystalline form. In alternative embodiments, the LBD of FXR is complexed with a ligand therefor. There are provided high resolution structures of FXR complexed with a novel high affinity agonist fexaramine. The discovered structure of a FXR LBD provides the first three-dimensional view of the structural basis for FXR ligand binding. The present invention further provides a computer for producing a time-dimensional representation of FXR or a complex thereof, and a computer for determining at least a portion of the structure coordinates of FXR or a complex thereof. The present invention further provides methods of using this structural information to predict molecules capable of binding to FXR; to identify compounds with agonist, antagonist or partial agonist activity for FXR; and to determine whether a test compound is capable of binding to the LBD of FXR. The present invention further provides compositions comprising compounds identified by such invention methods.
摘要翻译： 本发明提供了包含结晶形式的法呢甾X受体（FXR）的配体结合结构域（LBD）的组合物。 在替代实施方案中，FXR的LBD与其配体复合。 提供了与新型高亲和力激动剂福沙康胺复合的FXR的高分辨率结构。 所发现的FXR LBD的结构提供了FXR配体结合的结构基础的第一个三维视图。 本发明还提供一种用于产生FXR或其复数的时间维度表示的计算机，以及用于确定FXR或其复数的结构坐标的至少一部分的计算机。 本发明还提供使用该结构信息来预测能够结合FXR的分子的方法; 识别FXR激动剂，拮抗剂或部分激动剂活性的化合物; 并确定测试化合物是否能够结合FXR的LBD。 本发明还提供包含通过本发明方法鉴定的化合物的组合物。
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