Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects (Q26992268)

Crossref

language of work or name

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November 2011

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Progress in Nuclear Magnetic Resonance Spectroscopy

published in

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volume

59

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issue

4

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page(s)

360-89

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Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

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Two-point anchoring of a lanthanide-binding peptide to a target protein enhances the paramagnetic anisotropic effect

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Mapping the orientation of helices in micelle-bound peptides by paramagnetic relaxation waves

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Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k

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De novo determination of protein structure by NMR using orientational and long-range order restraints

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NMR structure of the sterol carrier protein-2: implications for the biological role

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The use of dipolar couplings for determining the solution structure of rat apo-S100B(ββ)

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Determination of local protein structure by spin label difference 2D NMR: the region neighboring Asp61 of subunit c of the F1F0 ATP synthase

21 March 2017

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The Xplor-NIH NMR molecular structure determination package

21 March 2017

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Solution NMR of proteins within polyacrylamide gels: diffusional properties and residual alignment by mechanical stress or embedding of oriented purple membranes

21 March 2017

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Distance mapping of protein-binding sites using spin-labeled oligosaccharide ligands

21 March 2017

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Tunable alignment of macromolecules by filamentous phage yields dipolar coupling interactions

21 March 2017

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Utilization of site-directed spin labeling and high-resolution heteronuclear nuclear magnetic resonance for global fold determination of large proteins with limited nuclear overhauser effect data

21 March 2017

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Simultaneous structure and dynamics of a membrane protein using REDCRAFT: Membrane-bound form of Pf1 coat protein

7 April 2017

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Electron-nuclear interactions as probes of domain motion in proteins

28 September 2017

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Lanthanide-tagged proteins--an illuminating partnership.

28 September 2017

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DOTA-M8: An extremely rigid, high-affinity lanthanide chelating tag for PCS NMR spectroscopy

28 September 2017

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Improvement and analysis of computational methods for prediction of residual dipolar couplings

28 September 2017

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Measurement of one and two bond N-C couplings in large proteins by TROSY-based J-modulation experiments

28 September 2017

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Paramagnetic labelling of proteins and oligonucleotides for NMR.

28 September 2017

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Theory, practice, and applications of paramagnetic relaxation enhancement for the characterization of transient low-population states of biological macromolecules and their complexes.

28 September 2017

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Paramagnetic ions enable tuning of nuclear relaxation rates and provide long-range structural restraints in solid-state NMR of proteins.

28 September 2017

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Estimation of relative order tensors, and reconstruction of vectors in space using unassigned RDC data and its application.

28 September 2017

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Numbat: an interactive software tool for fitting Deltachi-tensors to molecular coordinates using pseudocontact shifts.

28 September 2017

1 reference

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Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics.

28 September 2017

1 reference

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De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media

28 September 2017

1 reference

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Rapid classification of protein structure models using unassigned backbone RDCs and probability density profile analysis (PDPA).

28 September 2017

1 reference

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REDCRAFT: a tool for simultaneous characterization of protein backbone structure and motion from RDC data

28 September 2017

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Simultaneous definition of high resolution protein structure and backbone conformational dynamics using NMR residual dipolar couplings.

28 September 2017

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Top-down approach in protein RDC data analysis: de novo estimation of the alignment tensor.

28 September 2017

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Uniformly aligned full-length membrane proteins in liquid crystalline bilayers for structural characterization

28 September 2017

1 reference

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Practical aspects of (1)H transverse paramagnetic relaxation enhancement measurements on macromolecules.

28 September 2017

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Paramagnetic tagging of diamagnetic proteins for solution NMR.

28 September 2017

1 reference

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A PSEUDOVECTOR NUCLEAR HYPERFINE INTERACTION.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Determination of the geometric structure of the metal site in a blue copper protein by paramagnetic NMR

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

NMR spectroscopy of paramagnetic metalloproteins

28 September 2017

1 reference

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The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy.

28 September 2017

1 reference

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Site-specific labelling with a metal chelator for protein-structure refinement.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Prediction of charge-induced molecular alignment of biomolecules dissolved in dilute liquid-crystalline phases

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Ensemble approach for NMR structure refinement against (1)H paramagnetic relaxation enhancement data arising from a flexible paramagnetic group attached to a macromolecule

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Rapid protein fold determination using unassigned NMR data

28 September 2017

1 reference

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Weak alignment offers new NMR opportunities to study protein structure and dynamics.

28 September 2017

1 reference

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Dipolar waves as NMR maps of protein structure

28 September 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Dipolar couplings as a probe of molecular dynamics and structure in solution

28 September 2017

1 reference

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Paramagnetic probes in metalloproteins

28 September 2017

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Dipolar couplings in macromolecular structure determination

28 September 2017

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28 September 2017

Cellulose crystallites

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Protein global fold determination using site-directed spin and isotope labeling

28 September 2017

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Tendamistat surface accessibility to the TEMPOL paramagnetic probe.

28 September 2017

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The cellulose-binding domains from Cellulomonas fimi beta-1, 4-glucanase CenC bind nitroxide spin-labeled cellooligosaccharides in multiple orientations.

28 September 2017

1 reference

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TIMP-1 contact sites and perturbations of stromelysin 1 mapped by NMR and a paramagnetic surface probe.

28 September 2017

1 reference

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Protein structure refinement based on paramagnetic NMR shifts: applications to wild-type and mutant forms of cytochrome c.

28 September 2017

1 reference

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Nuclear magnetic dipole interactions in field-oriented proteins: information for structure determination in solution

28 September 2017

1 reference

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Strategies for the uses of lanthanide NMR shift probes in the determination of protein structure in solutio. Application to the EF calcium binding site of carp parvalbumin

28 September 2017

1 reference

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Relaxation data in NMR structure determination: model calculations for the lysozyme-Gd3 complex

28 September 2017

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19F nuclear magnetic resonance studies of aqueous and transmembrane receptors. Examples from the Escherichia coli chemosensory pathway

28 September 2017

1 reference

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Recent Advances in the Application of Solution NMR Spectroscopy to Multi-Span Integral Membrane Proteins

28 September 2017

1 reference

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A unifying probabilistic framework for analyzing residual dipolar couplings

31 May 2018

1 reference

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Multiple alignment of membrane proteins for measuring residual dipolar couplings using lanthanide ions bound to a small metal chelator

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Order matrix analysis of residual dipolar couplings using singular value decomposition.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

A robust method for determining the magnitude of the fully asymmetric alignment tensor of oriented macromolecules in the absence of structural information

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Nuclear magnetic resonance determination of metal-protn distances in the EF site of carp parvalbumin using the susceptibility contribution to the line broadening of lanthanide-shifted resonances.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Quantitative Determination of Mononucleotide Conformations in Solution using Lanthanide Ion Shift and Broadening NMR Probes

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Proton magnetic resonance of paramagnetic metalloproteins.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

NMR identification of protein surfaces using paramagnetic probes

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

High resolution measurement of methyl 13C(m)-13C and 1H(m)-13C(m) residual dipolar couplings in large proteins.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Determination of the antisymmetric part of the chemical shift anisotropy tensor via spin relaxation in nuclear magnetic resonance

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

PSEUDYANA for NMR structure calculation of paramagnetic metalloproteins using torsion angle molecular dynamics

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

A dipicolinic acid tag for rigid lanthanide tagging of proteins and paramagnetic NMR spectroscopy

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

NMR: prediction of molecular alignment from structure using the PALES software

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Lanthanide-binding peptides for NMR measurements of residual dipolar couplings and paramagnetic effects from multiple angles

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Structure determination of protein-ligand complexes by transferred paramagnetic shifts.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

On the accurate measurement of amide one-bond 15N-1H couplings in proteins: effects of cross-correlated relaxation, selective pulses and dynamic frequency shifts

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Efficient chi-tensor determination and NH assignment of paramagnetic proteins

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Insight into the CSA tensors of nucleobase carbons in RNA polynucleotides from solution measurements of residual CSA: towards new long-range orientational constraints.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Convenient synthesis of multifunctional EDTA-based chiral metal chelates substituted with an S-mesylcysteine.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Molecular-orientation analysis based on alignment-induced TROSY chemical shift changes

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Modulation of the distance dependence of paramagnetic relaxation enhancements by CSA x DSA cross-correlation.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Novel techniques for weak alignment of proteins in solution using chemical tags coordinating lanthanide ions.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

REDCAT: a residual dipolar coupling analysis tool

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Fast structure-based assignment of 15N HSQC spectra of selectively 15N-labeled paramagnetic proteins

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Improving the accuracy of NMR structures of large proteins using pseudocontact shifts as long-range restraints.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Angular dependence of dipole-dipole-Curie-spin cross-correlation effects in high-spin and low-spin paramagnetic myoglobin.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

The magnetic properties of myoglobin as studied by NMR spectroscopy

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Breaking symmetry in the structure determination of (large) symmetric protein dimers.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Cross correlation rates between Curie spin and dipole-dipole relaxation in paramagnetic proteins: the case of cerium substituted calbindin D9k.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Tracking alignment from the moment of inertia tensor (TRAMITE) of biomolecules in neutral dilute liquid crystal solutions

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Identification of protein surfaces by NMR measurements with a pramagnetic Gd(III) chelate

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Magnetic susceptibility tensor anisotropies for a lanthanide ion series in a fixed protein matrix

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Lanthanide ions bind specifically to an added "EF-hand" and orient a membrane protein in micelles for solution NMR spectroscopy.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

A new approach for applying residual dipolar couplings as restraints in structure elucidation.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

High magnetic field consequences on the NMR hyperfine shifts in solution

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Pseudocontact shifts as constraints for energy minimization and molecular dynamics calculations on solution structures of paramagnetic metalloproteins.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Direct measurement of angles between bond vectors in high-resolution NMR.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Solution structural characteristics of cyanometmyoglobin: resonance assignment of heme cavity residues by two-dimensional NMR.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3202700

Pseudo-CSA restraints for NMR refinement of nucleic acid structure

28 November 2018

1 reference

12 December 2020

Lanthanide complexes as nuclear magnetic resonance structural probes: paramagnetic anisotropy of shift reagent adducts

1 reference

12 December 2020

Variation of molecular alignment as a means of resolving orientational ambiguities in protein structures from dipolar couplings

1 reference

12 December 2020

NMR structure determination of protein-ligand complexes by lanthanide labeling

1 reference

12 December 2020

Reconstitution of Membrane Proteins into Lipid-Rich Bilayered Mixed Micelles for NMR Studies

1 reference

12 December 2020

Prospects for lanthanides in structural biology by NMR

1 reference

12 December 2020

Electron Spin–Nuclear Spin Cross-Correlation Effects on Multiplet Splittings in Paramagnetic Proteins

1 reference

12 December 2020

Location of M13 coat protein in sodium dodecyl sulfate micelles as determined by NMR

1 reference

12 December 2020

Strategies for measurements of pseudocontact shifts in protein NMR spectroscopy

1 reference

12 December 2020

Model-Free Approach to the Dynamic Interpretation of Residual Dipolar Couplings in Globular Proteins

1 reference

12 December 2020

Nuclear and Electron Relaxation in Magnetic Exchange Coupled Dimers: Implications for NMR Spectroscopy

1 reference

12 December 2020

Spin labeling of proteins

1 reference

12 December 2020

Lanthanide-Binding Tags as Versatile Protein Coexpression Probes

1 reference

12 December 2020

Backbone-Only Protein Solution Structures with a Combination of Classical and Paramagnetism-Based Constraints: A Method that Can Be Scaled to Large Molecules

1 reference

12 December 2020

Paramagnetism-Based Restraints for Xplor-NIH

1 reference

12 December 2020

Increased paramagnetic effect of a lanthanide protein probe by two-point attachment

1 reference

12 December 2020

Exclusively Heteronuclear NMR Experiments to Obtain Structural and Dynamic Information on Proteins

1 reference

12 December 2020

Structure-independent cross-validation between residual dipolar couplings originating from internal and external orienting media

1 reference

12 December 2020

Quantitative determination of conformations of flexible molecules in solution using lanthanide ions as nuclear magnetic resonance probes: Application to adenosine-5′-monophosphate

1 reference

12 December 2020

Weak alignment of paramagnetic proteins warrants correction for residual CSA effects in measurements of pseudocontact shifts

1 reference

12 December 2020

Sensitivity-enhanced 2D IPAP, TROSY–anti-TROSY, and E.COSY experiments: alternatives for measuring dipolar couplings

1 reference

12 December 2020

Two new chiral EDTA-based metal chelates for weak alignment of proteins in solution

1 reference

12 December 2020

10.1016/J.PNMRS.2011.05.001

Identifiers

DOI

0 references

1 reference

PubMed publication ID

22027343

1 reference