Rasmus Linser, Benjamin Bardiaux, Loren B. Andreas, Sven G. Hyberts, Vanessa K. Morris, Guido Pintacuda, Margaret Sunde, Ann H. Kwan and Gerhard Wagner
Journal of the American Chemical Society
DOI: 10.1021/ja504603g
[NMR paper] Solid-State NMR Structure Determination from Diagonal-Compensated Proton-Proton Restraints.
Solid-State NMR Structure Determination from Diagonal-Compensated Proton-Proton Restraints.
Related Articles Solid-State NMR Structure Determination from Diagonal-Compensated Proton-Proton Restraints.
J Am Chem Soc. 2014 Jul 2;
Authors: Linser R, Bardiaux B, Andreas LB, Hyberts SG, Morris VK, Pintacuda G, Sunde M, Kwan AH, Wagner G
Abstract
We report acquisition of diagonal-compensated protein structural restraints from 4-dimensional solid-state NMR spectra on extensively deuterated and 1H back-exchanged proteins. To achieve...
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07-06-2014 08:28 PM
[Question from NMRWiki Q&A forum] Generate inter-proton distance restraints from an X-ray structure
Generate inter-proton distance restraints from an X-ray structure
Hello,
Does anyone know of any program that can generate inter-proton distance restraints from an X-ray structure?I was able to use Molmol to generate dihedral angles. MolMol can also generate inter-atom distances, however, I could not figure out how to just generate 1H-1H distances. I have a total of 50,000 inter-atom distance (H-H, C-O, C-N...all types).
Any help is highly appreciated.
Winston
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04-25-2011 03:43 AM
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
J Am Chem Soc. 2011 Apr 4;
Authors: Ryabov Y, Schwieters CD, Clore GM
(15)N R(2)/R(1) relaxation data contain information on molecular shape and size as well as on bond vector orientations relative to...
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04-06-2011 10:54 AM
A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination.
A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination.
A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination.
Chemphyschem. 2011 Apr 4;12(5):915-8
Authors: Huber M, Hiller S, Schanda P, Ernst M, Böckmann A, Verel R, Meier BH
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03-29-2011 07:04 PM
Sparsely-sampled High-resolution 4-D Experiments for Efficient Backbone Resonance Assignment of Disordered Proteins
Sparsely-sampled High-resolution 4-D Experiments for Efficient Backbone Resonance Assignment of Disordered Proteins
Publication year: 2011
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 4 January 2011</br>
Jie, Wen , Jihui, Wu , Pei, Zhou</br>
Intrinsically disordered proteins (IDPs) play important roles in many critical cellular processes. Due to their limited chemical shift dispersion, IDPs often require four pairs of resonance connectivities (H?, C?, C? and CO) for establishing sequential backbone assignment. Because most conventional 4-D...
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01-05-2011 11:03 AM
[NMR paper] NMR structure determination and investigation using a reduced proton (REDPRO) labelin
NMR structure determination and investigation using a reduced proton (REDPRO) labeling strategy for proteins.
Related Articles NMR structure determination and investigation using a reduced proton (REDPRO) labeling strategy for proteins.
FEBS Lett. 2002 Jul 31;524(1-3):177-82
Authors: Shekhtman A, Ghose R, Goger M, Cowburn D
We present here a stable isotope labeling technique for proteins, which seeks the appropriate compromise between the advantages of (a) random isotope labeling, with its large number of protons available for structure...
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11-24-2010 08:58 PM
[NMR paper] Direct refinement against proton-proton dipolar couplings in NMR structure determinat
Direct refinement against proton-proton dipolar couplings in NMR structure determination of macromolecules.
Related Articles Direct refinement against proton-proton dipolar couplings in NMR structure determination of macromolecules.
J Magn Reson. 2000 Feb;142(2):393-6
Authors: Tjandra N, Marquardt J, Clore GM
The computational tools necessary for making use of (1)H-(1)H dipolar couplings in macromolecular structure refinement are presented. Potentials are described for direct refinement against (1)H-(1)H dipolar couplings of known sign as well...
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11-18-2010 09:15 PM
Mechanisms of proton conduction and gating in influenza m2 proton channels from solid
Mechanisms of proton conduction and gating in influenza m2 proton channels from solid-state NMR.
Related Articles Mechanisms of proton conduction and gating in influenza m2 proton channels from solid-state NMR.
Science. 2010 Oct 22;330(6003):505-8
Authors: Hu F, Luo W, Hong M
The M2 protein of influenza viruses forms an acid-activated tetrameric proton channel. We used solid-state nuclear magnetic resonance spectroscopy to determine the structure and functional dynamics of the pH-sensing and proton-selective histidine-37 in M2 bound to a...
Solid-StateNMR Structure Determination from Diagonal-Compensated,Sparsely Nonuniform-Sampled 4D Proton–Proton Restraints
Linear Mode
