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Making the invisible enemy visible

View ORCID ProfileTristan Croll, View ORCID ProfileKay Diederichs, Florens Fischer, View ORCID ProfileCameron Fyfe, View ORCID ProfileYunyun Gao, View ORCID ProfileSam Horrell, View ORCID ProfileAgnel Praveen Joseph, Luise Kandler, Oliver Kippes, Ferdinand Kirsten, Konstantin Müller, Kristoper Nolte, Alex Payne, View ORCID ProfileMatthew G. Reeves, View ORCID ProfileJane Richardson, View ORCID ProfileGianluca Santoni, Sabrina Stäb, View ORCID ProfileDale Tronrud, View ORCID ProfileChristopher Williams, View ORCID ProfileAndrea Thorn
doi: https://doi.org/10.1101/2020.10.07.307546
Tristan Croll
1CIMR, University of Cambridge, UK
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Kay Diederichs
2University of Constance, Germany
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Florens Fischer
3RVZ, University of Würzburg, Germany
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Cameron Fyfe
4Paris, France
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Yunyun Gao
3RVZ, University of Würzburg, Germany
5HARBOR, Unversity of Hamburg, Germany
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Sam Horrell
6Diamond Lightsource, UK
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Agnel Praveen Joseph
7Science and Technology Facilities Council, UK
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Luise Kandler
3RVZ, University of Würzburg, Germany
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Oliver Kippes
3RVZ, University of Würzburg, Germany
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Ferdinand Kirsten
3RVZ, University of Würzburg, Germany
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Konstantin Müller
3RVZ, University of Würzburg, Germany
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Kristoper Nolte
3RVZ, University of Würzburg, Germany
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Alex Payne
8Memorial Sloane Kettering Cancer Center, USA
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Matthew G. Reeves
3RVZ, University of Würzburg, Germany
5HARBOR, Unversity of Hamburg, Germany
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Jane Richardson
9Duke University, USA
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Gianluca Santoni
10European Synchrotron Radiation Facility, France
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Sabrina Stäb
3RVZ, University of Würzburg, Germany
5HARBOR, Unversity of Hamburg, Germany
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Dale Tronrud
11Oregon, USA
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Christopher Williams
9Duke University, USA
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Andrea Thorn
3RVZ, University of Würzburg, Germany
5HARBOR, Unversity of Hamburg, Germany
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  • For correspondence: andrea.thorn@web.de
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Abstract

During the COVID-19 pandemic, structural biologists have rushed to solve the structures of the 28 proteins encoded by the SARS-CoV-2 genome in order to understand the viral life cycle and enable structure-based drug design. In addition to the 200 structures from SARS-CoV previously solved, 367 structures covering 16 of the viral proteins have been released in the span of only 6 months.

These structural models serve as basis for research worldwide to understand how the virus hijacks human cells, for structure-based drug design and to aid in the development of vaccines. However, errors often occur in even the most careful structure determination - and are even more common among these structures, which were solved under immense pressure.

From the beginning of the pandemic, the Coronavirus Structural Taskforce has categorized, evaluated and reviewed all of these experimental protein structures in order to help downstream users and original authors. Our website also offers improved models for many key structures, which have been used by Folding@Home, OpenPandemics, the EU JEDI COVID-19 challenge, and others. Here, we describe our work for the first time, give an overview of common problems, and describe a few of these structures that have since acquired better versions in the worldwide Protein Data Bank, either from new data or as depositor re-versions using our suggested changes.

Competing Interest Statement

The authors have declared no competing interest.

Footnotes

  • https://www.insidecorona.net

  • https://github.com/thorn-lab/coronavirus_structural_task_force

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. All rights reserved. No reuse allowed without permission.
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Making the invisible enemy visible
Tristan Croll, Kay Diederichs, Florens Fischer, Cameron Fyfe, Yunyun Gao, Sam Horrell, Agnel Praveen Joseph, Luise Kandler, Oliver Kippes, Ferdinand Kirsten, Konstantin Müller, Kristoper Nolte, Alex Payne, Matthew G. Reeves, Jane Richardson, Gianluca Santoni, Sabrina Stäb, Dale Tronrud, Christopher Williams, Andrea Thorn
bioRxiv 2020.10.07.307546; doi: https://doi.org/10.1101/2020.10.07.307546
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Making the invisible enemy visible
Tristan Croll, Kay Diederichs, Florens Fischer, Cameron Fyfe, Yunyun Gao, Sam Horrell, Agnel Praveen Joseph, Luise Kandler, Oliver Kippes, Ferdinand Kirsten, Konstantin Müller, Kristoper Nolte, Alex Payne, Matthew G. Reeves, Jane Richardson, Gianluca Santoni, Sabrina Stäb, Dale Tronrud, Christopher Williams, Andrea Thorn
bioRxiv 2020.10.07.307546; doi: https://doi.org/10.1101/2020.10.07.307546

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