(Q34084326)

30 July 2017

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title

Use of chemical shifts in macromolecular structure determination (English)

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30 July 2017

macromolecular structure

0 references

0 references

1 reference

Wishart DS

1

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PubMed ID

11460554

30 July 2017

Case DA

series ordinal

2

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PubMed ID

11460554

30 July 2017

language of work or name

English

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publication date

1 January 2001

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30 July 2017

Methods in Enzymology

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30 July 2017

338

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30 July 2017

3-34

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Chemical shifts and three-dimensional protein structures

30 July 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The use of chemical shifts and their anisotropies in biomolecular structure determination

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Interpretation of chemical shifts and coupling constants in macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Chemical shifts as a tool for structure determination

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Use of chemical shifts and coupling constants in nuclear magnetic resonance structural studies on peptides and proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The chemical shift index: a fast and simple method for the assignment of protein secondary structure through NMR spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Characterization of the three-dimensional solution structure of human profilin: 1H, 13C, and 15N NMR assignments and global folding pattern

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Identification of N-terminal helix capping boxes by means of 13C chemical shifts.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Analysis of proton chemical shifts in regular secondary structure of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Relationship between nuclear magnetic resonance chemical shift and protein secondary structure

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

C alpha and C beta carbon-13 chemical shifts in proteins from an empirical database

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Protein backbone angle restraints from searching a database for chemical shift and sequence homology

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The impact of direct refinement against proton chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

New methods of structure refinement for macromolecular structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Empirical correlation between protein backbone conformation and C.alpha. and C.beta. 13C nuclear magnetic resonance chemical shifts

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Correlation between 15N NMR chemical shifts in proteins and secondary structure.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Protein phi and psi dihedral restraints determined from multidimensional hypersurface correlations of backbone chemical shifts and their use in the determination of protein tertiary structures

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

1H, 13C and 15N chemical shift referencing in biomolecular NMR

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Indirect Referencing of 31P and 19F NMR Spectra

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Analysis of (1)H chemical shifts in DNA: Assessment of the reliability of (1)H chemical shift calculations for use in structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The 13C chemical shifts of amino acids in aqueous solution containing organic solvents: application to the secondary structure characterization of peptides in aqueous trifluoroethanol solution

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Sequence-Corrected 15N "Random Coil" Chemical Shifts

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

'Random coil' 1H chemical shifts obtained as a function of temperature and trifluoroethanol concentration for the peptide series GGXGG.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The effects of guanidine hydrochloride on the 'random coil' conformations and NMR chemical shifts of the peptide series GGXGG

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Random-coil chemical shifts of phosphorylated amino acids.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

A relational database for sequence-specific protein NMR data

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Effects of Dynamics and Environment on15N Chemical Shielding Anisotropy in Proteins. A Combination of Density Functional Theory, Molecular Dynamics Simulation, and NMR Relaxation

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Magnetizability of Hydrocarbons

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Calibration of ring-current effects in proteins and nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The relationship between amide proton chemical shifts and secondary structure in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The use of pseudocontact shifts to refine solution structures of paramagnetic metalloproteins: Met80Ala cyano-cytochrome c as an example

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Solution structure of horse heart ferricytochrome c and detection of redox-related structural changes by high-resolution 1H NMR

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Partial Orientation of Oxidized and Reduced Cytochromeb5at High Magnetic Fields: Magnetic Susceptibility Anisotropy Contributions and Consequences for Protein Solution Structure Determination

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

A method for the calculation of protein alpha-CH chemical shifts.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Nuclear magnetic resonance studies of helix-coil transitions in polyamino acids

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Magnetic resonance studies of macromolecules. I. Aromatic-methyl interactions and helical structure effects in lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Structural information from NMR secondary chemical shifts of peptide alpha C-H protons in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The 13C chemical-shift index: a simple method for the identification of protein secondary structure using 13C chemical-shift data

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Peptide group chemical shift computation

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The effect of ring currents on carbon chemical shifts in cytochromes

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Chemical shift dispersion and secondary structure prediction in unfolded and partly folded proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

A simple method to quantitatively measure polypeptide JHNH alpha coupling constants from TOCSY or NOESY spectra.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Proton magnetic resonance studies of horse cytochrome c.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Unusual beta-sheet periodicity in small cyclic peptides

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

NMR chemical shifts and structure refinement in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraints

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Combined use of 13C chemical shift and 1H alpha-13C alpha heteronuclear NOE data in monitoring a protein NMR structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Solution structure of the DNA binding domain of HIV-1 integrase

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

The solution structure of a specific GAGA factor-DNA complex reveals a modular binding mode

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Leucine side-chain rotamers in a glycophorin A transmembrane peptide as revealed by three-bond carbon-carbon couplings and 13C chemical shifts

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

800 MHz 1H NMR solution structure refinement of oxidized cytochrome c7 from Desulfuromonas acetoxidans

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Resonance Raman studies of carbon monoxide binding to iron "picket fence" porphyrin with unhindered and hindered axial bases. An inverse relationship between binding affinity and the strength of iron-carbon bond.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Comparison of the solution and crystal structures of mitochondrial cytochrome c. Analysis of paramagnetic shifts in the nuclear magnetic resonance spectrum of ferricytochrome c.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

NMR Investigations ofClostridium pasteurianumRubredoxin. Origin of Hyperfine1H,2H,13C, and15N NMR Chemical Shifts in Iron−Sulfur Proteins As Determined by Comparison of Experimental Data with Hybrid Density Functional Calculations†

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Protein Backbone Dynamics and 15 N Chemical Shift Anisotropy from Quantitative Measurement of Relaxation Interference Effects

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Direct Measurement of15N Chemical Shift Anisotropy in Solution

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

An Approach to Direct Determination of Protein Dynamics from15N NMR Relaxation at Multiple Fields, Independent of Variable15N Chemical Shift Anisotropy and Chemical Exchange Contributions

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Characterizing semilocal motions in proteins by NMR relaxation studies

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Quantitative measurement of transverse and longitudinal cross-correlation between 13C-1H dipolar interaction and 13C chemical shift anisotropy: application to a 13C-labeled DNA duplex

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Quantitative estimation of magnitude and orientation of the CSA tensor from field dependence of longitudinal NMR relaxation rates

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Nuclear magnetic resonance of paramagnetic metalloproteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Are true scalar proton—proton connectivities ever measured in COSY spectra of paramagnetic macromolecules?

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Electron spin-nuclear spin cross-correlation effects on multiplet splittings in paramagnetic proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Local mobility of 15N labeled biomolecules characterized through cross-correlation rates: Applications to paramagnetic proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Simple techniques for the quantification of protein secondary structure by1H NMR spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Identification of structural motifs from protein coordinate data: secondary structure and first-level supersecondary structure

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Native and non-native secondary structure and dynamics in the pH 4 intermediate of apomyoglobin

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Performance of a neural-network-based determination of amino acid class and secondary structure from 1H-15N NMR data

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Potential energy functions for threading

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Internal dynamics of human ubiquitin revealed by 13C-relaxation studies of randomly fractionally labeled protein

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

An empirical energy function for threading protein sequence through the folding motif

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Progress in protein structure prediction: assessment of CASP3.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Protein three-dimensional structure determination and sequence-specific assignment of 13C and 15N-separated NOE data. A novel real-space ab initio approach

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Solid-state nuclear magnetic resonance investigation of protein and polypeptide structure

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

NMR structural studies of membrane proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Complete resolution of the solid-state NMR spectrum of a uniformly 15N-labeled membrane protein in phospholipid bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

High-resolution conformation of gramicidin A in a lipid bilayer by solid-state NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

High-Resolution Heteronuclear Dipolar Solid-State NMR Spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Recent progress in understanding chemical shifts.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

Statistical Basis for the Use of 13Calpha Chemical Shifts in Protein Structure Determination

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2802%2938214-4

7 January 2021

10.1016/S0076-6879(02)38214-4

Identifiers

DOI

1 reference

30 July 2017

1 reference

PubMed ID

11460554