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2. Protein Data Bank: the single global archive for 3D macromolecular structure data

Author

Masashi Yokochi, Ju Yaen Kim, Chenghua Shao, John M. Berrisford, Hongyang Yao, Miron Livny, Stephen Anyango, Abhik Mukhopadhyay, Romana Gáborová, Yi-Ping Tao, Monica Sekharan, Aleksandras Gutmanas, Jose M. Dana, Mandar Deshpande, Charmi Bhikadiya, Yannis Ioannidis, Pedro Romero, Jonathan R. Wedell, Eldon L. Ulrich, Gert-Jan Bekker, Chris Randle, Chunxiao Bi, Jeffrey C. Hoch, Nurul Nadzirin, Jaroslav Koča, Yumiko Kengaku, Jasmine Young, Cole Christie, John D. Westbrook, Naohiro Kobayashi, Alexander S. Rose, Sameer Velankar, David Sehnal, Lukáš Pravda, David R. Armstrong, Hasumi Cho, Genji Kurisu, Lora Mak, John L. Markley, Saqib Mir, Sutapa Ghosh, Ardan Patwardhan, Zukang Feng, Stephen K. Burley, Robert Lowe, David S. Goodsell, Hirofumi Suzuki, Maria Voigt, Paul Gane, Jose M. Duarte, Osman Salih, Irina Periskova, Matthew J. Conroy, Toshimichi Fujiwara, Yasuyo Ikegawa, Takahiro Kudou, Dimitri Maziuk, Typhaine Paysan-Lafosse, Brian P. Hudson, Christine Zardecki, Sreenath Nair, Gerard J. Kleywegt, Marina A. Zhuravleva, Shuchismita Dutta, Dmytro Guzenko, Kumaran Baskaran, Rachel Kramer Green, Ezra Peisach, Li Chen, Reiko Yamashita, Vladimir Guranovic, Yu-He Liang, Takeshi Iwata, Atsushi Nakagawa, Haruki Nakamura, Junko Sato, Radka Svobodová Vařeková, Helen M. Berman, Deepti Gupta, Luigi Di Costanzo, Mihaly Varadi, Yana Valasatava, Burley, S. K., Berman, H. M., Bhikadiya, C., Bi, C., Chen, L., DI COSTANZO, Luigi, Addeo, PIETRO FRANCESCO BRUNO CHRISTI, Duarte, J. M., Dutta, S., Feng, Z., Ghosh, S., Goodsell, D. S., Green, R. K., Guranovic, V., Guzenko, D., Hudson, B. P., Liang, Y., Lowe, R., Peisach, E., Periskova, I., Randle, C., Rose, A., Sekharan, M., Shao, C., Tao, Y. -P., Valasatava, Y., Voigt, M., Westbrook, J., Young, J., Zardecki, C., Zhuravleva, M., Kurisu, G., Nakamura, H., Kengaku, Y., Cho, H., Sato, J., Kim, J. Y., Ikegawa, Y., Nakagawa, A., Yamashita, R., Kudou, T., Bekker, G. -J., Suzuki, H., Iwata, T., Yokochi, M., Kobayashi, N., Fujiwara, T., Velankar, S., Kleywegt, G. J., Anyango, S., Armstrong, D. R., Berrisford, J. M., Conroy, M. J., Dana, J. M., Deshpande, M., Gane, P., Gaborova, R., Gupta, D., Gutmanas, A., Koca, J., Mak, L., EL MIR, Abdelouahad, Mukhopadhyay, A., Nadzirin, N., Nair, S., Patwardhan, A., Paysan-Lafosse, T., Pravda, L., Salih, O., Sehnal, D., Varadi, M., Varekova, R., Markley, J. L., Hoch, J. C., Romero, P. R., Baskaran, K., Maziuk, D., Ulrich, E. L., Wedell, J. R., Sicong, Yao, Livny, M., and Ioannidis, Y. E.

Subjects
Models, Molecular, Protein Conformation, Molecular Conformation, Protein Data Bank (RCSB PDB), Master data, Biology, computer.software_genre, 03 medical and health sciences, 0302 clinical medicine, Genetics, Database Issue, RDF, Databases, Protein, 030304 developmental biology, Structure (mathematical logic), 0303 health sciences, Database, Experimental data, DNA, computer.file_format, Atomic coordinates, Protein Data Bank, Metadata, Metals, Nucleic Acid Conformation, RNA, computer, 030217 neurology & neurosurgery
Abstract

The Protein Data Bank (PDB) is the single global archive of experimentally determined three-dimensional (3D) structure data of biological macromolecules. Since 2003, the PDB has been managed by the Worldwide Protein Data Bank (wwPDB; wwpdb.org), an international consortium that collaboratively oversees deposition, validation, biocuration, and open access dissemination of 3D macromolecular structure data. The PDB Core Archive houses 3D atomic coordinates of more than 144 000 structural models of proteins, DNA/RNA, and their complexes with metals and small molecules and related experimental data and metadata. Structure and experimental data/metadata are also stored in the PDB Core Archive using the readily extensible wwPDB PDBx/mmCIF master data format, which will continue to evolve as data/metadata from new experimental techniques and structure determination methods are incorporated by the wwPDB. Impacts of the recently developed universal wwPDB OneDep deposition/validation/biocuration system and various methods-specific wwPDB Validation Task Forces on improving the quality of structures and data housed in the PDB Core Archive are described together with current challenges and future plans.

Published
2018
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