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1. 发明授权

US07141432B2 Method of using reduced dimensionality nuclear magnetic resonance spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins 有权
标题翻译：使用降低维数的核磁共振光谱法进行蛋白质快速化学位移分配和二级结构测定的方法
公开(公告)号：US07141432B2
公开(公告)日：2006-11-28
申请号：US09897583
申请日：2001-06-29
申请人： Thomas A. Szyperski
发明人： Thomas A. Szyperski
IPC分类号： G01N24/00 , G01N33/00
CPC分类号： G01R33/4625 , G01R33/4608 , G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention discloses eight new reduced dimensionality (RD) triple resonance nuclear magnetic resonance (NMR) experiments for measuring chemical shift values of certain nuclei in a protein molecule. The RD 3D HA,CA,(CO),N,HN NMR experiment and the RD 3D H,C,(C-TOCSY—CO),N,HN NMR experiment are designed to yield “sequential” connectivities, while the RD 3D Hαβ,Cαβ,CO,HA NMR experiment and the RD 3D Hαβ,Cαβ,N,HN NMR experiment provide “intraresidue” connectivities. The RD 3D H,C,C,H—COSY NMR experiment, the RD 3D H,C,C,H-TOCSY NMR experiment, and the RD 2D H,C,H—COSY NMR experiment allow one to obtain assignments for aliphatic and aromatic side chain chemical shifts, while the RD 2D HB,CB,(CG,CD),HD NMR experiment provide information for the aromatic side chain chemical shifts. In addition, a method of conducting suites of RD triple resonance NMR experiments for high-throughput resonance assignment of proteins and identification of the location of secondary structure elements are disclosed.
摘要翻译：本发明公开了用于测量蛋白质分子中某些核的化学位移值的八个新的降维（RD）三重共振核磁共振（NMR）实验。 CA，（CO），N，HN NMR实验和RD 3D H， H， H ^{alphabeta CO，HA NMR实验和RD 3D H字母表， H， C，C，H-COZY NMR实验，RD 3D H， H， C，H-COZY NMR实验允许一个获得脂族和芳族侧链化学位移，而RD 2D HB，（UC，CD），HD NMR实验提供了芳族侧链化学位移的信息。另外，公开了用于蛋白质高通量共振分配的RD三重共振NMR实验套件的方法和二级结构元件的位置的识别。}

2. 发明申请

US20090009166A1 METHOD OF USING G-MATRIX FOURIER TRANSFORMATION NUCLEAR MAGNETIC RESONANCE (GFT NMR) SPECTROSCOPY FOR RAPID CHEMICAL SHIFT ASSIGNMENT AND SECONDARY STRUCTURE DETERMINATION OF PROTEINS 有权
标题翻译：使用G-MATRIX FOURIER转换核磁共振（GFT NMR）光谱法进行快速化学转移分配和二级结构测定蛋白质的方法
公开(公告)号：US20090009166A1
公开(公告)日：2009-01-08
申请号：US12057076
申请日：2008-03-27
申请人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
发明人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
IPC分类号： G01R33/54 , G01N24/08
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention presents a new approach to rapidly obtaining precise high-dimensional NMR spectral information, named “GFT NMR spectroscopy”, which is based on the phase sensitive joint sampling of the indirect dimensions spanning a subspace of a conventional NMR experiment. The phase-sensitive joint sampling of several indirect dimensions of a high-dimensional NMR experiment leads to largely reduced minimum measurement times when compared to FT NMR. This allows one to avoid the “sampling limited” data collection regime. Concomitantly, the analysis of the resulting chemical shift multiplets, which are edited by the G-matrix transformation, yields increased precision for the measurement of the chemical shifts. Additionally, methods of conducting specific GFT NMR experiments as well as methods of conducting a combination of GFT NMR experiments for rapidly obtaining precise chemical shift assignment and determining the structure of proteins or other molecules are disclosed.
摘要翻译：本发明提供了一种快速获得精确的高维NMR光谱信息的新方法，命名为“GFT NMR光谱”，其基于跨过常规NMR实验的子空间的间接尺寸的相敏联合采样。与FT NMR相比，高维NMR实验的几个间接尺寸的相敏联合取样导致最大测量时间大大降低。这样可以避免“采样受限”的数据收集制度。伴随地，通过G矩阵变换编辑的所得到的化学位移多重峰的分析产生了用于测量化学位移的增加的精度。此外，公开了进行特定GFT NMR实验的方法以及进行GFT NMR实验的组合以快速获得精确的化学位移分配和确定蛋白质或其他分子的结构的方法。

3. 发明授权

US07396685B2 Phase sensitively-detected reduced dimensionality nuclear magnetic resonance spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins 失效
标题翻译：相位敏感检测降低维度核磁共振波谱用于蛋白质的快速化学位移分配和二级结构测定
公开(公告)号：US07396685B2
公开(公告)日：2008-07-08
申请号：US10628818
申请日：2003-07-28
申请人： Thomas A. Szyperski , Seho Kim
发明人： Thomas A. Szyperski , Seho Kim
IPC分类号： G01N24/00
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention discloses eleven reduced dimensionality (RD) triple resonance nuclear magnetic resonance (NMR) experiments for measuring chemical shift values of certain nuclei in a protein molecule, where the chemical shift values encoded in a peak pair of an NMR spectrum are detected in a phase sensitive manner. The RD 3D HA,CA,(CO),N,HN NMR and RD 3D H,C,(C-TOCSY-CO),N,HN NMR experiments are designed to yield “sequential” connectivities, while the RD 3D Hα/β,Cα/β,CO,HA NMR and RD 3D Hα/β,Cα/β,N,HN NMR experiments provide “intraresidue” connectivities. The RD 3D H,C,C,H-COSY NMR, RD 3D H,C,C,H-TOCSY NMR, and RD 2D H,C,H-COSY NMR experiments allow one to obtain assignments for aliphatic and aromatic side chain chemical shifts, while the RD 2D HB,CB,(CG,CD),HD NMR experiment provide information for the aromatic side chain chemical shifts. In addition, methods of conducting suites of RD triple resonance NMR experiments for high-throughput resonance assignment of proteins and determination of secondary structure elements are disclosed.
摘要翻译：本发明公开了一种用于测量蛋白质分子中某些核的化学位移值的十一维三维共振核磁共振（NMR）实验，其中在一个核磁共振谱的峰对中编码的化学位移值在相位敏感的方式。 CA，（CO），N，HN NMR和RD 3D H， Hα/β， CO，HA NMR和RD 3D Hα/β， N，1 H NMR实验提供“残留”连接。 C，C，H-COZY NMR，RD 3D H， H， C，C，H-TOCSY NMR和RD 2D H， HB，（UC，CD），HD NMR实验提供了芳族侧链化学位移的信息。此外，公开了用于蛋白质的高通量共振分配的RD三重共振NMR实验的套件的方法和二级结构元件的测定。

4. 发明授权

US07920972B2 G-matrix Fourier transformation (GFT) nuclear magnetic resonance (NMR) experiments for resonance assignment and structure determination of organic molecules 失效
标题翻译：用于共振分配和有机分子结构测定的G-基质傅里叶变换（GFT）核磁共振（NMR）实验
公开(公告)号：US07920972B2
公开(公告)日：2011-04-05
申请号：US11253262
申请日：2005-10-18
申请人： Thomas A. Szyperski , Hanudatta S. Atreya
发明人： Thomas A. Szyperski , Hanudatta S. Atreya
IPC分类号： G06F19/00 , G01N33/48 , G01N31/00 , C12Q1/00
CPC分类号： G01R33/4633 , G01N24/087 , G01R33/465 , G06F19/16
摘要： The present invention discloses a suite of G2FT and GFT NMR experiments that can be used for complete resonance assignments of proteins and for obtaining structural (conformational and orientational) constraints for determining high resolution three-dimensional structures of biomolecules.
摘要翻译：本发明公开了一套G2FT和GFT NMR实验，可用于蛋白质的完全共振分配，并用于获得用于确定生物分子的高分辨率三维结构的结构（构象和取向）约束。

5. 发明授权

US07365539B2 Method of using G-matrix fourier transformation nuclear magnetic resonance (GFT NMR) spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins 失效
标题翻译：使用G矩阵傅里叶变换核磁共振（GFT NMR）光谱法进行蛋白质快速化学位移分配和二级结构测定的方法
公开(公告)号：US07365539B2
公开(公告)日：2008-04-29
申请号：US10973807
申请日：2004-10-26
申请人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
发明人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
IPC分类号： G01V3/00
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention presents a new approach to rapidly obtaining precise high-dimensional NMR spectral information, named “GFT NMR spectroscopy”, which is based on the phase sensitive joint sampling of the indirect dimensions spanning a subspace of a conventional NMR experiment. The phase-sensitive joint sampling of several indirect dimensions of a high-dimensional NMR experiment leads to largely reduced minimum measurement times when compared to FT NMR. This allows one to avoid the “sampling limited” data collection regime. Concomitantly, the analysis of the resulting checmical shift multiplets, which are edited by the G-matrix transformation, yields increased precision for the measurement of the chemical shifts. Additionally, methods of conducting specific GFT NMR experiments as well as methods of conducting a combination of GFT NMR experiments for rapidly obtaining precise chemical shift assignment and determining the structure of proteins or other molecules are disclosed.
摘要翻译：本发明提出了一种快速获得精确的高维NMR光谱信息的新方法，命名为“GFT NMR光谱”，其基于跨过常规NMR实验的子空间的间接尺寸的相敏联合采样。与FT NMR相比，高维NMR实验的几个间接尺寸的相敏联合取样导致最大测量时间大大降低。这样可以避免“采样受限”的数据收集制度。伴随地，通过G矩阵变换编辑的所得到的移动多重点的分析产生了用于化学位移测量的增加的精度。此外，公开了进行特定GFT NMR实验的方法以及进行GFT NMR实验的组合以快速获得精确的化学位移分配和确定蛋白质或其他分子的结构的方法。

6. 发明申请

US20090115414A1 PHASE-SENSITIVELY DETECTED REDUCED DIMENSIONALITY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY FOR RAPID CHEMICAL SHIFT ASSIGNMENT AND SECONDARY STRUCTURE DETERMINATION OF PROTEINS 审中-公开
标题翻译：相敏检测减少尺寸核激光共振光谱快速化学转移分配和二级结构测定蛋白质
公开(公告)号：US20090115414A1
公开(公告)日：2009-05-07
申请号：US12132320
申请日：2008-06-03
申请人： Thomas A. Szyperski , Seho Kim
发明人： Thomas A. Szyperski , Seho Kim
IPC分类号： G01R33/44
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention discloses eleven reduced dimensionality (RD) triple resonance nuclear magnetic resonance (NMR) experiments for measuring chemical shift values of certain nuclei in a protein molecule, where the chemical shift values encoded in a peak pair of an NMR spectrum are detected in a phase sensitive manner. The RD 3D HA,CA,(CO),N,HN NMR and RD 3D H,C,(C-TOCSY-CO),N,HN NMR experiments are designed to yield “sequential” connectivities, while the RD 3D Hα/β,Cα/β, CO,HA NMR and RD 3D Hα/β,Cα/β,N,HN NMR experiments provide “intraresidue” connectivities. The RD 3D H,C,C,H-COSY NMR, RD 3D H,C,C,H-TOCSY NMR, and RD 2D H,C,H-COSY NMR experiments allow one to obtain assignments for aliphatic and aromatic side chain chemical shifts, while the RD 2D HB,CB,(CG,CD),HD NMR experiment provide information for the aromatic side chain chemical shifts. In addition, methods of conducting suites of RD triple resonance NMR experiments for high-throughput resonance assignment of proteins and determination of secondary structure elements are disclosed.
摘要翻译：本发明公开了一种用于测量蛋白质分子中某些核的化学位移值的十一维三维共振核磁共振（NMR）实验，其中在一个核磁共振谱的峰对中编码的化学位移值在相位敏感的方式。 HA，CA，（CO），N，HN NMR和RD 3D H，单独的 “C，（C-TOCSY-CO），N，HN NMR实验被设计为产生”顺序“连接，而RD 3D Hal /β， Calpha / beta，CO，HA NMR和RD 3D氦/氦，Calpha /β，N，HN NMR实验提供了“残留”连接。 RD 3D H，C，C，H-COZY NMR，RD 3D，H， C，C，H-TOCSY NMR和RD 2D H，C，H-COZY NMR实验允许获得脂族和芳族侧链化学位移的分配，而DB 2D，CB，（CG，CD），HD NMR实验提供了芳族侧链化学位移的信息。此外，公开了用于蛋白质的高通量共振分配的RD三重共振NMR实验的套件的方法和二级结构元件的测定。

7. 发明授权

US06831459B2 Method of using G-matrix Fourier transformation nuclear magnetic resonance (GFT NMR) spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins 有权
公开(公告)号：US06831459B2
公开(公告)日：2004-12-14
申请号：US10617482
申请日：2003-07-11
申请人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
发明人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
IPC分类号： G01V300
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention presents a new approach to rapidly obtaining precise high-dimensional NMR spectral information, named “GFT NMR spectroscopy”, which is based on the phase sensitive joint sampling of the indirect dimensions spanning a subspace of a conventional NMR experiment. The phase-sensitive joint sampling of several indirect dimensions of a high-dimensional NMR experiment leads to largely reduced minimum measurement times when compared to FT NMR. This allows one to avoid the “sampling limited” data collection regime. Concomitantly, the analysis of the resulting chemical shift multiplets, which are edited by the G-matrix transformation, yields increased precision for the measurement of the chemical shifts. Additionally, methods of conducting specific GFT NMR experiments as well as methods of conducting a combination of GFT NMR experiments for rapidly obtaining precise chemical shift assignment and determining the structure of proteins or other molecules are disclosed.

8. 发明授权

US07880468B2 Method of using G-matrix fourier transformation nuclear magnetic resonance (GFT NMR) spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins 有权
标题翻译：使用G矩阵傅里叶变换核磁共振（GFT NMR）光谱法进行蛋白质快速化学位移分配和二级结构测定的方法
公开(公告)号：US07880468B2
公开(公告)日：2011-02-01
申请号：US12057076
申请日：2008-03-27
申请人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
发明人： Thomas A. Szyperski , Seho Kim , Hanudatta S. Atreya
IPC分类号： G01V3/00
CPC分类号： G01R33/4633 , G01R33/465 , Y10T436/24
摘要： The present invention presents a new approach to rapidly obtaining precise high-dimensional NMR spectral information, named “GFT NMR spectroscopy”, which is based on the phase sensitive joint sampling of the indirect dimensions spanning a subspace of a conventional NMR experiment. The phase-sensitive joint sampling of several indirect dimensions of a high-dimensional NMR experiment leads to largely reduced minimum measurement times when compared to FT NMR. This allows one to avoid the “sampling limited” data collection regime. Concomitantly, the analysis of the resulting chemical shift multiplets, which are edited by the G-matrix transformation, yields increased precision for the measurement of the chemical shifts. Additionally, methods of conducting specific GFT NMR experiments as well as methods of conducting a combination of GFT NMR experiments for rapidly obtaining precise chemical shift assignment and determining the structure of proteins or other molecules are disclosed.
摘要翻译：本发明提供了一种快速获得精确的高维NMR光谱信息的新方法，命名为“GFT NMR光谱”，其基于跨过常规NMR实验的子空间的间接尺寸的相敏联合采样。与FT NMR相比，高维NMR实验的几个间接尺寸的相敏联合取样导致最大测量时间大大降低。这样可以避免“采样受限”的数据收集制度。伴随地，通过G矩阵变换编辑的所得到的化学位移多重峰的分析产生了用于测量化学位移的增加的精度。此外，公开了进行特定GFT NMR实验的方法以及进行GFT NMR实验的组合以快速获得精确的化学位移分配和确定蛋白质或其他分子的结构的方法。

9. 发明授权

US07408346B2 Simultaneous phase cycling for nuclear magnetic resonance spectroscopy 失效
标题翻译：用于核磁共振光谱的同步相循环
公开(公告)号：US07408346B2
公开(公告)日：2008-08-05
申请号：US11474249
申请日：2006-06-23
申请人： Thomas A. Szyperski , David M. Parish
发明人： Thomas A. Szyperski , David M. Parish
IPC分类号： G01V3/00
CPC分类号： G01R33/4616
摘要： The present invention discloses a method of simultaneously conducting more than one step of a radiofrequency phase cycle in a nuclear magnetic resonance (NMR) experiment. The method first involves providing a sample. Next, one or more radiofrequency pulses are applied to a plurality of spatially discrete slices of the sample under conditions effective to simultaneously conduct more than one step of a radiofrequency phase cycle in a single transient. Then, NMR signals generated from the step of applying the radiofrequency pulses are acquired. Finally, the NMR signals are processed to obtain an NMR spectrum.
摘要翻译：本发明公开了一种在核磁共振（NMR）实验中同时进行射频相循环的一个以上步骤的方法。该方法首先涉及提供样品。接下来，在有效同时在单个瞬态中同时进行射频相位循环的多个步骤的条件下，将一个或多个射频脉冲施加到样本的多个空间上离散的片段。然后，获取从施加射频脉冲的步骤产生的NMR信号。最后，对NMR信号进行处理以获得NMR光谱。

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