[phenixbb] Public resource for the structures, validation and re-modelling of Corona virus macromolecules

Andrea Thorn andrea.thorn at web.de
Fri Mar 27 03:17:13 PDT 2020

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:


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

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
andrea.thorn at uni-wuerzburg.de
+49 931 31-83677

Rudolf Virchow Center, University of Wuerzburg
Josef-Schneider-Str. 2 | 97080 Wuerzburg | Germany

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