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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

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Abstract

The recommendations presented here are designed to support easier communication of NMR data and NMR structures of proteins and nucleic acids through unified nomenclature and reporting standards. Much of this document pertains to the reporting of data in journal articles; however, in the interest of the future development of structural biology, it is desirable that the bulk of the reported information be stored in computer-accessible form and be freely accessible to the scientific community in standardized formats for data exchange. These recommendations stem from an IUPAC-IUBMB-IUPAB inter-union venture with the direct involvement of ICSU and CODATA. The Task Group has reviewed previous formal recommendations and has extended them in the light of more recent developments in the field of biomolecular NMR spectroscopy. Drafts of the recommendations presented here have been examined critically by more than 50 specialists in the field and have gone through two rounds of extensive modification to incorporate suggestions and criticisms.

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Authors and Affiliations

  1. Department of Biochemistry, University of Wisconsin-Madison, Madison, WI, 53706-1569, U.S.A

    John L. Markley

  2. Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, MD, 20892-0520, U.S.A

    Ad Bax

  3. Water Research Institute, Tsukuba, Japan

    Yoji Arata

  4. Laboratory of Biophysical Chemistry, University of Nijmegen, 6525, ED Nijmegen, The Netherlands

    C. W. Hilbers

  5. Department of Chemistry, University of Utrecht, 3584 CH, Utrecht, The Netherlands

    Robert Kaptein

  6. Department of Biochemistry, University of Alberta, Edmonton, Alberta, Canada, T6G 2H7

    Brian D. Sykes

  7. Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA, 92037, U.S.A

    Peter E. Wright

  8. Institut für Molekularbiologie und Biophysik, ETH-Hönggerberg, CH-8093, Zürich, Switzerland

    Kurt Wüthrich

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Markley, J.L., Bax, A., Arata, Y. et al. 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. J Biomol NMR 12, 1–23 (1998). https://doi.org/10.1023/A:1008290618449

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