AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models

被引:4719
作者
Varadi, Mihaly [1 ]
Anyango, Stephen [1 ]
Deshpande, Mandar [1 ]
Nair, Sreenath [1 ]
Natassia, Cindy [1 ]
Yordanova, Galabina [1 ]
Yuan, David [1 ]
Stroe, Oana [1 ]
Wood, Gemma [1 ]
Laydon, Agata [2 ]
Zidek, Augustin [2 ]
Green, Tim [2 ]
Tunyasuvunakool, Kathryn [2 ]
Petersen, Stig [2 ]
Jumper, John [2 ]
Clancy, Ellen [2 ]
Green, Richard [2 ]
Vora, Ankur [2 ]
Lutfi, Mira [2 ]
Figurnov, Michael [2 ]
Cowie, Andrew [2 ]
Hobbs, Nicole [2 ]
Kohli, Pushmeet [2 ]
Kleywegt, Gerard [1 ]
Birney, Ewan [1 ]
Hassabis, Demis [2 ]
Velankar, Sameer [1 ]
机构
[1] European Mol Biol Lab, European Bioinformat Inst, Hinxton, England
[2] DeepMind, London, England
关键词
D O I
10.1093/nar/gkab1061
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The AlphaFold Protein Structure Database (AlphaFold DB, https://alphafold.ebi.ac.uk) is an openly accessible, extensive database of high-accuracy protein-structure predictions. Powered by AlphaFold v2.0 of DeepMind, it has enabled an unprecedented expansion of the structural coverage of the known protein-sequence space. AlphaFold DB provides programmatic access to and interactive visualization of predicted atomic coordinates, per-residue and pairwise model-confidence estimates and predicted aligned errors. The initial release of AlphaFold DB contains over 360,000 predicted structures across 21 model-organism proteomes, which will soon be expanded to cover most of the (over 100 million) representative sequences from the UniRef90 data set.
引用
收藏
页码:D439 / D444
页数:6
相关论文
共 21 条
[1]  
Akdel M, 2021, bioRxiv, DOI [10.1101/2021.09.26.461876, 10.1101/ 2021.09.26.461876]
[2]  
[Anonymous], 2020, NUCLEIC ACIDS RES, DOI DOI 10.1093/NAR/GKZ990
[3]   Accurate prediction of protein structures and interactions using a three-track neural network [J].
Baek, Minkyung ;
DiMaio, Frank ;
Anishchenko, Ivan ;
Dauparas, Justas ;
Ovchinnikov, Sergey ;
Lee, Gyu Rie ;
Wang, Jue ;
Cong, Qian ;
Kinch, Lisa N. ;
Schaeffer, R. Dustin ;
Millan, Claudia ;
Park, Hahnbeom ;
Adams, Carson ;
Glassman, Caleb R. ;
DeGiovanni, Andy ;
Pereira, Jose H. ;
Rodrigues, Andria V. ;
van Dijk, Alberdina A. ;
Ebrecht, Ana C. ;
Opperman, Diederik J. ;
Sagmeister, Theo ;
Buhlheller, Christoph ;
Pavkov-Keller, Tea ;
Rathinaswamy, Manoj K. ;
Dalwadi, Udit ;
Yip, Calvin K. ;
Burke, John E. ;
Garcia, K. Christopher ;
Grishin, Nick V. ;
Adams, Paul D. ;
Read, Randy J. ;
Baker, David .
SCIENCE, 2021, 373 (6557) :871-+
[4]   UniProt: the universal protein knowledgebase in 2021 [J].
Bateman, Alex ;
Martin, Maria-Jesus ;
Orchard, Sandra ;
Magrane, Michele ;
Agivetova, Rahat ;
Ahmad, Shadab ;
Alpi, Emanuele ;
Bowler-Barnett, Emily H. ;
Britto, Ramona ;
Bursteinas, Borisas ;
Bye-A-Jee, Hema ;
Coetzee, Ray ;
Cukura, Austra ;
Da Silva, Alan ;
Denny, Paul ;
Dogan, Tunca ;
Ebenezer, ThankGod ;
Fan, Jun ;
Castro, Leyla Garcia ;
Garmiri, Penelope ;
Georghiou, George ;
Gonzales, Leonardo ;
Hatton-Ellis, Emma ;
Hussein, Abdulrahman ;
Ignatchenko, Alexandr ;
Insana, Giuseppe ;
Ishtiaq, Rizwan ;
Jokinen, Petteri ;
Joshi, Vishal ;
Jyothi, Dushyanth ;
Lock, Antonia ;
Lopez, Rodrigo ;
Luciani, Aurelien ;
Luo, Jie ;
Lussi, Yvonne ;
Mac-Dougall, Alistair ;
Madeira, Fabio ;
Mahmoudy, Mahdi ;
Menchi, Manuela ;
Mishra, Alok ;
Moulang, Katie ;
Nightingale, Andrew ;
Oliveira, Carla Susana ;
Pundir, Sangya ;
Qi, Guoying ;
Raj, Shriya ;
Rice, Daniel ;
Lopez, Milagros Rodriguez ;
Saidi, Rabie ;
Sampson, Joseph .
NUCLEIC ACIDS RESEARCH, 2021, 49 (D1) :D480-D489
[5]   A Structure-Based Drug Discovery Paradigm [J].
Batool, Maria ;
Ahmad, Bilal ;
Choi, Sangdun .
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 20 (11)
[6]   The InterPro protein families and domains database: 20 years on [J].
Blum, Matthias ;
Chang, Hsin-Yu ;
Chuguransky, Sara ;
Grego, Tiago ;
Kandasaamy, Swaathi ;
Mitchell, Alex ;
Nuka, Gift ;
Paysan-Lafosse, Typhaine ;
Qureshi, Matloob ;
Raj, Shriya ;
Richardson, Lorna ;
Salazar, Gustavo A. ;
Williams, Lowri ;
Bork, Peer ;
Bridge, Alan ;
Gough, Julian ;
Haft, Daniel H. ;
Letunic, Ivica ;
Marchler-Bauer, Aron ;
Mi, Huaiyu ;
Natale, Darren A. ;
Necci, Marco ;
Orengo, Christine A. ;
Pandurangan, Arun P. ;
Rivoire, Catherine ;
Sigrist, Christian J. A. ;
Sillitoe, Ian ;
Thanki, Narmada ;
Thomas, Paul D. ;
Tosatto, Silvio C. E. ;
Wu, Cathy H. ;
Bateman, Alex ;
Finn, Robert D. .
NUCLEIC ACIDS RESEARCH, 2021, 49 (D1) :D344-D354
[7]   Protein Data Bank: the single global archive for 3D macromolecular structure data [J].
Burley, Stephen K. ;
Berman, Helen M. ;
Bhikadiya, Charmi ;
Bi, Chunxiao ;
Chen, Li ;
Di Costanzo, Luigi ;
Christie, Cole ;
Duarte, Jose M. ;
Dutta, Shuchismita ;
Feng, Zukang ;
Ghosh, Sutapa ;
Goodsell, David S. ;
Green, Rachel Kramer ;
Guranovic, Vladimir ;
Guzenko, Dmytro ;
Hudson, Brian P. ;
Liang, Yuhe ;
Lowe, Robert ;
Peisach, Ezra ;
Periskova, Irina ;
Randle, Chris ;
Rose, Alexander ;
Sekharan, Monica ;
Shao, Chenghua ;
Tao, Yi-Ping ;
Valasatava, Yana ;
Voigt, Maria ;
Westbrook, John ;
Young, Jasmine ;
Zardecki, Christine ;
Zhuravleva, Marina ;
Kurisu, Genji ;
Nakamura, Haruki ;
Kengaku, Yumiko ;
Cho, Hasumi ;
Sato, Junko ;
Kim, Ju Yaen ;
Ikegawa, Yasuyo ;
Nakagawa, Atsushi ;
Yamashita, Reiko ;
Kudou, Takahiro ;
Bekker, Gert-Jan ;
Suzuki, Hirofumi ;
Iwata, Takeshi ;
Yokochi, Masashi ;
Kobayashi, Naohiro ;
Fujiwara, Toshimichi ;
Velankar, Sameer ;
Kleywegt, Gerard J. ;
Anyango, Stephen .
NUCLEIC ACIDS RESEARCH, 2019, 47 (D1) :D520-D528
[8]   Cryo-EM: The Resolution Revolution and Drug Discovery [J].
de Oliveira, Taiana Maia ;
van Beek, Lotte ;
Shilliday, Fiona ;
Debreczeni, Judit E. ;
Phillips, Chris .
SLAS DISCOVERY, 2021, 26 (01) :17-31
[9]   Improved protein structure refinement guided by deep learning based accuracy estimation [J].
Hiranuma, Naozumi ;
Park, Hahnbeom ;
Baek, Minkyung ;
Anishchenko, Ivan ;
Dauparas, Justas ;
Baker, David .
NATURE COMMUNICATIONS, 2021, 12 (01)
[10]   Highly accurate protein structure prediction with AlphaFold [J].
Jumper, John ;
Evans, Richard ;
Pritzel, Alexander ;
Green, Tim ;
Figurnov, Michael ;
Ronneberger, Olaf ;
Tunyasuvunakool, Kathryn ;
Bates, Russ ;
Zidek, Augustin ;
Potapenko, Anna ;
Bridgland, Alex ;
Meyer, Clemens ;
Kohl, Simon A. A. ;
Ballard, Andrew J. ;
Cowie, Andrew ;
Romera-Paredes, Bernardino ;
Nikolov, Stanislav ;
Jain, Rishub ;
Adler, Jonas ;
Back, Trevor ;
Petersen, Stig ;
Reiman, David ;
Clancy, Ellen ;
Zielinski, Michal ;
Steinegger, Martin ;
Pacholska, Michalina ;
Berghammer, Tamas ;
Bodenstein, Sebastian ;
Silver, David ;
Vinyals, Oriol ;
Senior, Andrew W. ;
Kavukcuoglu, Koray ;
Kohli, Pushmeet ;
Hassabis, Demis .
NATURE, 2021, 596 (7873) :583-+