NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Aleksandras Gutmanas¹, Paul D Adams², Benjamin Bardiaux³, Helen M Berman⁴, David A Case⁴, Rasmus H Fogh⁵, Peter Güntert⁶, Pieter M S Hendrickx¹, Torsten Herrmann⁷, Gerard J Kleywegt¹, Naohiro Kobayashi⁸, Oliver F Lange⁹, John L Markley¹⁰, Gaetano T Montelione¹¹, Michael Nilges³, Timothy J Ragan⁵, Charles D Schwieters¹², Roberto Tejero¹³, Eldon L Ulrich¹⁰, Sameer Velankar¹, Wim F Vranken¹⁴, Jonathan R Wedell¹⁰, John Westbrook⁴, David S Wishart¹⁵, Geerten W Vuister⁵

Affiliations

¹ Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Cambridge, UK.
² Physical Biosciences Division, Lawrence Berkeley Laboratory, Berkeley, California, USA.
³ 1] Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, Paris, France. [2] Unité Mixte de Recherche 3528, Centre National de la Recherche Scientifique, Paris, France.
⁴ Department of Chemistry and Chemical Biology, Center for Integrative Proteomics Research, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA.
⁵ Department of Biochemistry, University of Leicester, Leicester, UK.
⁶ 1] Institute of Biophysical Chemistry, Frankfurt Institute of Advanced Studies, Goethe University Frankfurt am Main, Frankfurt am Main, Germany. [2] Graduate School of Science and Engineering, Tokyo Metropolitan University, Tokyo, Japan. [3] Physical Chemistry, Eidgenössische Technische Hochschule (ETH) Zürich, Zürich, Switzerland.
⁷ 1] Centre de Résonance Magnétique Nucléaire à Très Hauts Champs, Ecole Normale Supérieure de Lyon, Villeurbanne, France. [2] Institut des Sciences Analytiques, Unité Mixte de Recherche 5280, Centre National de la Recherche Scientifique, Villeurbanne, France.
⁸ Institute for Protein Research, Osaka University, Osaka, Japan.
⁹ Biomolecular NMR, Munich Center for Integrated Protein Science, Department Chemie, Technische Universität München, Garching, Germany.
¹⁰ Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin, USA.
¹¹ 1] Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA. [2] Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA.
¹² Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland, USA.
¹³ Departamento de Quίmica Fίsica, Universidad de Valencia, Valencia, Spain.
¹⁴ 1] Structural Biology Research Centre, Vlaams Instituut voor Biotechnologie, Brussels, Belgium. [2] Structural Biology Brussels, Vrije Universiteit Brussel, Brussels, Belgium. [3] Interuniversity Institute of Bioinformatics in Brussels, Université Libre de Bruxelles-Vrije Universiteit Brussel, Brussels, Belgium.
¹⁵ 1] Department of Computing Science, University of Alberta, Edmonton, Alberta, Canada. [2] Department of Biological Sciences, University of Alberta, Edmonton, Alberta, Canada.

PMID: 26036565
PMCID: PMC4546829
DOI: 10.1038/nsmb.3041

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Aleksandras Gutmanas et al. Nat Struct Mol Biol. 2015 Jun.

. 2015 Jun;22(6):433-4.

doi: 10.1038/nsmb.3041.

Authors

Affiliations

¹ Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Cambridge, UK.
² Physical Biosciences Division, Lawrence Berkeley Laboratory, Berkeley, California, USA.
³ 1] Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, Paris, France. [2] Unité Mixte de Recherche 3528, Centre National de la Recherche Scientifique, Paris, France.
⁴ Department of Chemistry and Chemical Biology, Center for Integrative Proteomics Research, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA.
⁵ Department of Biochemistry, University of Leicester, Leicester, UK.
⁶ 1] Institute of Biophysical Chemistry, Frankfurt Institute of Advanced Studies, Goethe University Frankfurt am Main, Frankfurt am Main, Germany. [2] Graduate School of Science and Engineering, Tokyo Metropolitan University, Tokyo, Japan. [3] Physical Chemistry, Eidgenössische Technische Hochschule (ETH) Zürich, Zürich, Switzerland.
⁷ 1] Centre de Résonance Magnétique Nucléaire à Très Hauts Champs, Ecole Normale Supérieure de Lyon, Villeurbanne, France. [2] Institut des Sciences Analytiques, Unité Mixte de Recherche 5280, Centre National de la Recherche Scientifique, Villeurbanne, France.
⁸ Institute for Protein Research, Osaka University, Osaka, Japan.
⁹ Biomolecular NMR, Munich Center for Integrated Protein Science, Department Chemie, Technische Universität München, Garching, Germany.
¹⁰ Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin, USA.
¹¹ 1] Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA. [2] Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, Rutgers, the State University of New Jersey, Piscataway, New Jersey, USA.
¹² Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland, USA.
¹³ Departamento de Quίmica Fίsica, Universidad de Valencia, Valencia, Spain.
¹⁴ 1] Structural Biology Research Centre, Vlaams Instituut voor Biotechnologie, Brussels, Belgium. [2] Structural Biology Brussels, Vrije Universiteit Brussel, Brussels, Belgium. [3] Interuniversity Institute of Bioinformatics in Brussels, Université Libre de Bruxelles-Vrije Universiteit Brussel, Brussels, Belgium.
¹⁵ 1] Department of Computing Science, University of Alberta, Edmonton, Alberta, Canada. [2] Department of Biological Sciences, University of Alberta, Edmonton, Alberta, Canada.

PMID: 26036565
PMCID: PMC4546829
DOI: 10.1038/nsmb.3041

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Conflict of interest statement

COMPETING FINANCIAL INTERESTS

The authors declare no competing financial interests.

Figures

**Figure 1**
Growth in the number of NMR entries in the PDB archive.

See this image and copyright information in PMC

References

1. Bernstein FC, et al. J Mol Biol. 1977;112:535–542. - PubMed
1. Berman H, et al. Nucleic Acids Res. 2007;35:D301–D303. - PMC - PubMed
1. Montelione GT, et al. Structure. 2013;21:1563–1570. - PMC - PubMed
1. Markley JL, et al. Methods Biochem Anal. 2003;44:89–113. - PubMed
1. Ulrich EL, et al. Nucleic Acids Res. 2008;36:D402–D408. - PMC - PubMed

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NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Affiliations

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Authors

Affiliations

Conflict of interest statement

Figures

References

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MeSH terms

Grants and funding

LinkOut - more resources

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