Using Pseudocontact Shifts and Residual Dipolar Couplings as Exact NMR Restraints for the Determination of Protein Structural Ensembles

Biochemistry ◽  
2015 ◽  
Vol 54 (51) ◽  
pp. 7470-7476 ◽  
Author(s):  
Carlo Camilloni ◽  
Michele Vendruscolo
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Pseudocontact Shifts ◽  
Structural Ensembles ◽  
Nmr Restraints

A Novel Method for the Determination of Stereochemistry in Six-Membered Chairlike Rings Using Residual Dipolar Couplings

2003 ◽  
Vol 68 (5) ◽  
pp. 1786-1795 ◽  
Author(s):  
Jiangli Yan ◽  
Allen D. Kline ◽  
Huaping Mo ◽  
Michael J. Shapiro ◽  
Edward R. Zartler
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Novel Method

Determination of the Relative Configuration of β-Amino Acid Esters Based on Residual Dipolar Couplings

2015 ◽  
Vol 2015 (31) ◽  
pp. 6801-6805 ◽  
Author(s):  
Thomas Niklas ◽  
Christian Steinmetzger ◽  
Weiping Liu ◽  
Daniel Zell ◽  
Dietmar Stalke ◽  
...  
Keyword(s):  
Amino Acid ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Amino Acid Esters ◽  
Relative Configuration ◽  
Acid Esters

scholarly journals Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings

2011 ◽  
Vol 133 (16) ◽  
pp. 6288-6298 ◽  
Author(s):  
Nikolaos G. Sgourakis ◽  
Oliver F. Lange ◽  
Frank DiMaio ◽  
Ingemar André ◽  
Nicholas C. Fitzkee ◽  
...  
Keyword(s):  
Residual Dipolar Couplings ◽  
Chemical Shifts ◽  
Dipolar Couplings ◽  
Nmr Chemical Shifts

scholarly journals Determination of the Absolute Configuration of 19-OH-(-)-Eburnamonine Using a Combination of Residual Dipolar Couplings, DFT Chemical Shift Predictions, and Chiroptics

2012 ◽  
Vol 7 (6) ◽  
pp. 1934578X1200700 ◽  
Author(s):  
Pablo Trigo-Mouriño ◽  
Roxana Sifuentes ◽  
Armando Navarro-Vázquez ◽  
Chakicherla Gayathri ◽  
Helena Maruenda ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Absolute Configuration ◽  
Residual Dipolar Couplings ◽  
Indole Alkaloid ◽  
Dipolar Couplings ◽  
The Absolute ◽  
Natural Derivative ◽  
High Level ◽  
Configuration And Conformation

19-OH-(-)-eburnamonine 1 is a new indole alkaloid isolated from Bonafusia macrocalyx. A natural derivative from (-)-eburnamonine for which absolute configuration and conformation has been determined by making use of residual dipolar couplings enhanced NMR, circular dichroism spectra and high-level computations.

Residual Dipolar Couplings in Structure Determination of Biomolecules

ChemInform ◽  
2004 ◽  
Vol 35 (45) ◽  
Author(s):  
J. H. Prestegard ◽  
C. M. Bougault ◽  
A. I. Kishore
Keyword(s):  
Structure Determination ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters

2016 ◽  
Vol 81 (22) ◽  
pp. 11126-11131 ◽  
Author(s):  
Laura Castañar ◽  
Manuela Garcia ◽  
Erich Hellemann ◽  
Pau Nolis ◽  
Roberto R. Gil ◽  
...  
Keyword(s):  
Small Molecules ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

scholarly journals NMR Spectroscopic Determination of the Solution Structure of a Branched Nucleic Acid from Residual Dipolar Couplings by Using Isotopically Labeled Nucleotides

2004 ◽  
Vol 43 (2) ◽  
pp. 187-192 ◽  
Author(s):  
Bernd N. M. van Buuren ◽  
Jürgen Schleucher ◽  
Valentin Wittmann ◽  
Christian Griesinger ◽  
Harald Schwalbe ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Solution Structure ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Spectroscopic Determination

scholarly journals Determination of Conformational Equilibria in Proteins Using Residual Dipolar Couplings

2011 ◽  
Vol 7 (12) ◽  
pp. 4189-4195 ◽  
Author(s):  
Alfonso De Simone ◽  
Rinaldo W. Montalvao ◽  
Michele Vendruscolo
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Conformational Equilibria

scholarly journals Structure calculation, refinement and validation usingCcpNmr Analysis

2015 ◽  
Vol 71 (1) ◽  
pp. 154-161 ◽  
Author(s):  
Simon P. Skinner ◽  
Benjamin T. Goult ◽  
Rasmus H. Fogh ◽  
Wayne Boucher ◽  
Tim J. Stevens ◽  
...  
Keyword(s):  
Structure Determination ◽  
Solution Structure ◽  
Residual Dipolar Couplings ◽  
Structure Calculation ◽  
Biological Macromolecules ◽  
Nmr Structure Determination ◽  
Determination Process ◽  
The Many ◽  
Nmr Restraints

CcpNmr Analysisprovides a streamlined pipeline for both NMR chemical shift assignment and structure determination of biological macromolecules. In addition, it encompasses tools to analyse the many additional experiments that make NMR such a pivotal technique for research into complex biological questions. This report describes howCcpNmr Analysiscan seamlessly link together all of the tasks in the NMR structure-determination process. It details each of the stages from generating NMR restraints [distance, dihedral, hydrogen bonds and residual dipolar couplings (RDCs)], exporting these to and subsequently re-importing them from structure-calculation software (such as the programsCYANAorARIA) and analysing and validating the results obtained from the structure calculation to, ultimately, the streamlined deposition of the completed assignments and the refined ensemble of structures into the PDBe repository. Until recently, such solution-structure determination by NMR has been quite a laborious task, requiring multiple stages and programs. However, with the new enhancements toCcpNmr Analysisdescribed here, this process is now much more intuitive and efficient and less error-prone.

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