ArticleJournal of the American Chemical Society2009
Protein structure refinement using 13C alpha chemical shift tensors.
Article in Journal of the American Chemical Society, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Accessible hybrid DFT-quality NMR crystallographyChemical science · 2026Article
- Fungicidal amphotericin B sponges are assemblies of staggered asymmetric homodimers encasing large void volumes.Nature structural & molecular biology · 2021Article
- Scaled recoupling of chemical shift anisotropies at high magnetic fields under MAS with interspersed C-elements.The Journal of chemical physics · 2020Article
- Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MM.Physical chemistry chemical physics : PCCP · 2018Article
- Applications of NMR to membrane proteins.Archives of biochemistry and biophysics · 2017Review
- Article
- Structural biology of supramolecular assemblies by magic-angle spinning NMR spectroscopy.Quarterly reviews of biophysics · 2017Review
- Spatial reorientation experiments for NMR of solids and partially oriented liquids.Progress in nuclear magnetic resonance spectroscopy · 2015Review
- NMR studies of dynamic biomolecular conformational ensembles.Progress in nuclear magnetic resonance spectroscopy · 2015Review
- Smooth statistical torsion angle potential derived from a large conformational database via adaptive kernel density estimation improves the quality of NMR protein structures.Protein science : a publication of the Protein Society · 2012Article
- Determination of 15N chemical shift anisotropy from a membrane-bound protein by NMR spectroscopy.The journal of physical chemistry. B · 2012Article
- Mutant protein A30P α-synuclein adopts wild-type fibril structure, despite slower fibrillation kinetics.The Journal of biological chemistry · 2012Article
- VITAL NMR: using chemical shift derived secondary structure information for a limited set of amino acids to assess homology model accuracy.Journal of biomolecular NMR · 2012Article
- High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.Journal of biomolecular NMR · 2011Article
- Ultrahigh resolution protein structures using NMR chemical shift tensors.Proceedings of the National Academy of Sciences of the United States of America · 2011Article
- Density functional calculations of backbone 15N shielding tensors in beta-sheet and turn residues of protein G.Journal of biomolecular NMR · 2011Article
- Determination of relative tensor orientations by γ-encoded chemical shift anisotropy/heteronuclear dipolar coupling 3D NMR spectroscopy in biological solids.Physical chemistry chemical physics : PCCP · 2010Article
- Supramolecular protein structure determination by site-specific long-range intermolecular solid state NMR spectroscopy.Journal of the American Chemical Society · 2010Article
- Assignment strategies for large proteins by magic-angle spinning NMR: the 21-kDa disulfide-bond-forming enzyme DsbA.Journal of molecular biology · 2010Article
- 3D (13)C-(13)C-(13)C correlation NMR for de novo distance determination of solid proteins and application to a human alpha-defensin.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2010Article
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4 authors.
Funding
Abstract
We have obtained the (13)C alpha chemical shift tensors for each amino acid in the protein GB1. We then developed a CST force field and incorporated this into the Xplor-NIH structure determination program. GB1 structures obtained by using CST restraints had improved precision over those obtained in the absence of CST restraints and were also more accurate. When combined with isotropic chemical shifts, distance, and vector angle restraints, the root-mean squared error with respect to existing X-ray structures was better than approximately 1.0 A. These results are of broad general interest since they show that chemical shift tensors can be used in protein structure refinement, improving both structural accuracy and precision, opening up the way to accurate de novo structure determination.
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