Journal of Biomolecular NMR

, Volume 12, Issue 1, pp 1-23

First online:

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

  • John L. MarkleyAffiliated withDepartment of Biochemistry, University of Wisconsin-Madison
  • , Ad BaxAffiliated withLaboratory of Chemical Physics, NIDDK, National Institutes of Health
  • , Yoji ArataAffiliated withWater Research Institute
  • , C. W. HilbersAffiliated withLaboratory of Biophysical Chemistry, University of Nijmegen
  • , Robert KapteinAffiliated withDepartment of Chemistry, University of Utrecht
  • , Brian D. SykesAffiliated withDepartment of Biochemistry, University of Alberta
  • , Peter E. WrightAffiliated withDepartment of Molecular Biology, The Scripps Research Institute
  • , Kurt WüthrichAffiliated withInstitut für Molekularbiologie und Biophysik, ETH-Hönggerberg

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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.