Brinda Vallat, Benjamin M. Webb, John D. Westbrook, Thomas D. Goddard, Christian Alexander Hanke, Andrea Graziadei, Ezra Peisach, Arthur Zalevsky, Jared Sagendorf, Hongsuda Tangmunarunkit, Serban Voinea, Monica Sekharan, Jian Yu, Alexander M. J. J. Bonvin, Frank DiMaio, Gerhard Hummer, Jens Meiler, Emad Tajkhorshid, Thomas E. Ferrin, Catherine L. Lawson, Alexander Leitner, Juri Rappsilber, Claus Seidel, Cy M. Jeffries, Stephen K. Burley, Jeffrey C. Hoch, Genji Kurisu, Kyle Morris, Ardan Patwardhan, Sameer Velankar, Torsten Schwede, Jill Trewhella, Carl Kesselman, Helen M. Berman, Andrej Sali
- IHMCIF (github.com/ihmwg/IHMCIF) is a data information framework that supports archiving and disseminating macromolecular structures determined by integrative or hybrid modeling (IHM), and making them Findable, Accessible, Interoperable, and Reusable (FAIR). IHMCIF is an extension of the Protein Data Bank Exchange/macromolecular Crystallographic Information Framework (PDBx/mmCIF) that serves as the framework for the Protein Data Bank (PDB) to archive experimentally determined atomic structures of biological macromolecules and their complexes with one another and small molecule ligands (e.g., enzyme cofactors and drugs). IHMCIF serves as the foundational data standard for the PDB-Dev prototype system, developed for archiving and disseminating integrative structures. It utilizes a flexible data representation to describe integrative structures that span multiple spatiotemporal scales and structural states with definitions for restraints from a variety of experimental methods contributing to integrative structural biology. The IHMCIF extension was created with the benefit of considerable community input and recommendations gathered by the Worldwide Protein Data Bank (wwPDB) Task Force for Integrative or Hybrid Methods (wwpdb.org/task/hybrid). Herein, we describe the development of IHMCIF to support evolving methodologies and ongoing advancements in integrative structural biology. Ultimately, IHMCIF will facilitate the unification of PDB-Dev data and tools with the PDB archive so that integrative structures can be archived and disseminated through PDB.
MetadatenAuthor: | Brinda VallatORCiD, Benjamin M. WebbORCiD, John D. WestbrookORCiD, Thomas D. Goddard, Christian Alexander HankeORCiDGND, Andrea GraziadeiORCiDGND, Ezra PeisachORCiD, Arthur ZalevskyORCiD, Jared SagendorfORCiD, Hongsuda TangmunarunkitORCiD, Serban VoineaORCiD, Monica SekharanORCiD, Jian Yu, Alexander M. J. J. BonvinORCiD, Frank DiMaioORCiD, Gerhard HummerORCiD, Jens MeilerORCiDGND, Emad TajkhorshidORCiD, Thomas E. FerrinORCiD, Catherine L. LawsonORCiDGND, Alexander LeitnerORCiDGND, Juri RappsilberORCiDGND, Claus SeidelORCiDGND, Cy M. JeffriesORCiD, Stephen K. BurleyORCiD, Jeffrey C. HochORCiDGND, Genji KurisuORCiD, Kyle MorrisORCiD, Ardan PatwardhanORCiD, Sameer VelankarORCiD, Torsten SchwedeORCiD, Jill TrewhellaORCiD, Carl KesselmanORCiD, Helen M. BermanORCiD, Andrej SaliORCiD |
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URN: | urn:nbn:de:hebis:30:3-834665 |
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DOI: | https://doi.org/10.1016/j.jmb.2024.168546 |
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ISSN: | 0022-2836 |
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Parent Title (English): | Journal of molecular biology |
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Publisher: | Elsevier |
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Place of publication: | Amsterdam |
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Document Type: | Article |
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Language: | English |
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Date of Publication (online): | 2024/03/18 |
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Date of first Publication: | 2024/03/18 |
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Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
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Release Date: | 2024/04/17 |
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Tag: | Data Standard; IHMCIF; Integrative Modeling; Open Access; PDB-Dev; PDBx/mmCIF; Worldwide Protein Data Bank; wwPDB |
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Volume: | 2024 |
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Issue: | 168546, In Press, Journal Pre-proof |
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Article Number: | 168546 |
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Page Number: | 17 |
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HeBIS-PPN: | 521040108 |
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Institutes: | Physik |
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| Angeschlossene und kooperierende Institutionen / MPI für Biophysik |
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Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 57 Biowissenschaften; Biologie / 570 Biowissenschaften; Biologie |
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Sammlungen: | Universitätspublikationen |
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Licence (German): | Creative Commons - CC BY - Namensnennung 4.0 International |
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