scholarly journals Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings

2017 ◽  
Vol 129 (13) ◽  
pp. 3714-3718 ◽  
Author(s):  
Eduardo Troche-Pesqueira ◽  
Clemens Anklin ◽  
Roberto R. Gil ◽  
Armando Navarro-Vázquez
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
Residual Dipolar Couplings ◽  
3D Structure ◽  
Dipolar Couplings ◽  
Computer Assisted

scholarly journals Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings

2017 ◽  
Vol 56 (13) ◽  
pp. 3660-3664 ◽  
Author(s):  
Eduardo Troche-Pesqueira ◽  
Clemens Anklin ◽  
Roberto R. Gil ◽  
Armando Navarro-Vázquez
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
Residual Dipolar Couplings ◽  
3D Structure ◽  
Dipolar Couplings ◽  
Computer Assisted

scholarly journals Computer‐Assisted 3D Structure Elucidation (CASE‐3D): The Structural Value of 2 J CH in Addition to 3 J CH Coupling Constants

2020 ◽  
Vol 59 (10) ◽  
pp. 3938-3941 ◽  
Author(s):  
Martin R. M. Koos ◽  
Armando Navarro‐Vázquez ◽  
Clemens Anklin ◽  
Roberto R. Gil
Keyword(s):  
Structure Elucidation ◽  
3D Structure ◽  
Coupling Constants ◽  
Computer Assisted

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

2003 ◽  
Vol 41 (5) ◽  
pp. 359-372 ◽  
Author(s):  
Kirill A. Blinov ◽  
Dean Carlson ◽  
Mikhail E. Elyashberg ◽  
Gary E. Martin ◽  
Eduard R. Martirosian ◽  
...  
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Computer Assisted ◽  
Nmr Data ◽  
Data Application ◽  
Computer Assisted Structure Elucidation

scholarly journals Developing NMR methods for macromolecular machines: Measurement of residual dipolar couplings to probe dynamic regions of the ribosome

2018 ◽  
Author(s):  
Xiaolin Wang ◽  
John P. Kirkpatrick ◽  
Hélène M. M. Launay ◽  
Alfonso de Simone ◽  
Daniel Häussinger ◽  
...  
Keyword(s):  
Residual Dipolar Couplings ◽  
3D Structure ◽  
Nmr Relaxation ◽  
Dipolar Couplings ◽  
Functional Regions ◽  
Chain Complexes ◽  
Relaxation Measurements ◽  
Nascent Chain ◽  
Dynamic Regions ◽  
Nmr Methods

ABSTRACTWe describe an NMR approach based on the measurement of residual dipolar couplings (RDCs) to probe the structural and motional properties of the dynamic regions of the ribosome. Alignment of intact 70S ribosomes in filamentous bacteriophage enabled measurement of RDCs in the stalk protein bL12, and this information was used to refine a 3D structure of its C-terminal domain (CTD). Orientational constraints on the CTD alignment arising from the semiflexible linker sequence were further probed by a paramagnetic alignment strategy, and provided direct experimental validation of a structural ensemble previously derived from SAXS and NMR relaxation measurements. Our results demonstrate the prospect of better characterising dynamical and functional regions of more challenging macromolecular machines and systems, for example ribosome–nascent chain complexes.

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