Public resource for the structures, validation and re-modelling of Corona virus macromolecules
Dear colleagues, we are methods developers in structural biology. During this time of crisis, we decided to put our brains to where our hearts are and have started a public resource for the structures from beta-coronavirus with a focus on SARS-CoV and SARS-CoV-2: https://github.com/thorn-lab/coronavirus_structural_task_force It can be used to download all relevant structures, look at structural validation information, diagnostic data for the quality of experimental data and available re-refinements. We will expand this resource in time, but as of today, it contains all deposited SARS-CoV and SARS-CoV-2 structures, sorted by protein and virus, PDB-REDO entries, diffraction data diagnostics from AUSPEX and PHENIX.XTRIAGE, WHATCHECK reports and Tristan Croll's fantastic manual ISOLDE re-refinements. We will soon add MOLPROBITY to lighten the traffic on the server at Duke, individual links to Global Phasing's efforts in re-processing and re-refinement of individual structures and HARUSPEX map annotations for the Cryo-EM structures. We may point out potential improvements in some structures in these data, but this is not meant as criticism of the achievements of the researchers who first elucidated these structures! It merely reflects on recent progress in methods development and the potential to push our methods to their limit in order to get every last bit of biological information from a given data set. We hope this can make a (small) difference for a cure of COVID-19. If you have any questions or would like to contribute, please let me know! Andrea Thorn. The collaborators, as of today, are: myself, Yunyun Gao, Kristopher Nolte, Ferdinand Kirsten, Sabrina Stäb (RVZ, University of Würzburg, Germany) Gianluca Santoni (European Synchrotron Facility, France) Tristan Croll (CIMR, University of Cambridge, UK) The Richardson Laboratory (Duke University, USA) We would also like to thank for their advice: Sameer Velankar, James Holton, Manfred Weiss, Gerard Bricogne, Clemens Vonrhein and Robbie Joosten. -- Dr. Andrea Thorn | group leader [email protected] +49 931 31-83677 Rudolf Virchow Center, University of Wuerzburg Josef-Schneider-Str. 2 | 97080 Wuerzburg | Germany https://www.uni-wuerzburg.de/en/rvz/research/associated-research-groups/thor...
participants (1)
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Andrea Thorn