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Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
View ORCID ProfileAlice Douangamath, View ORCID ProfileDaren Fearon, Paul Gehrtz, View ORCID ProfileTobias Krojer, View ORCID ProfilePetra Lukacik, View ORCID ProfileC. David Owen, Efrat Resnick, View ORCID ProfileClaire Strain-Damerell, View ORCID ProfileAnthony Aimon, View ORCID ProfilePéter Ábrányi-Balogh, View ORCID ProfileJosé Brandaõ-Neto, Anna Carbery, View ORCID ProfileGemma Davison, Alexandre Dias, View ORCID ProfileThomas D Downes, View ORCID ProfileLouise Dunnett, Michael Fairhead, View ORCID ProfileJames D. Firth, View ORCID ProfileS. Paul Jones, Aaron Keely, View ORCID ProfileGyörgy M. Keserü, View ORCID ProfileHanna F Klein, View ORCID ProfileMathew P. Martin, View ORCID ProfileMartin E. M. Noble, View ORCID ProfilePeter O’Brien, Ailsa Powell, Rambabu Reddi, View ORCID ProfileRachael Skyner, Matthew Snee, View ORCID ProfileMichael J. Waring, Conor Wild, View ORCID ProfileNir London, View ORCID ProfileFrank von Delft, View ORCID ProfileMartin A. Walsh
doi: https://doi.org/10.1101/2020.05.27.118117
Alice Douangamath
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Daren Fearon
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Paul Gehrtz
5Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 7610001, Israel
Tobias Krojer
4Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington, OX3 7DQ, UK
Petra Lukacik
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
C. David Owen
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
Efrat Resnick
5Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 7610001, Israel
Claire Strain-Damerell
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
Anthony Aimon
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
Péter Ábrányi-Balogh
6Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar tudósok krt. 2, H-1117 Hungary
José Brandaõ-Neto
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Anna Carbery
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Gemma Davison
9Cancer Research UK Drug Discovery Unit, Newcastle University Centre for Cancer, Chemistry, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne, NE1 7RU, U.K.
Alexandre Dias
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Thomas D Downes
8Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
Louise Dunnett
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Michael Fairhead
4Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington, OX3 7DQ, UK
James D. Firth
8Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
S. Paul Jones
8Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
Aaron Keely
6Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar tudósok krt. 2, H-1117 Hungary
György M. Keserü
6Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar tudósok krt. 2, H-1117 Hungary
Hanna F Klein
8Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
Mathew P. Martin
7Cancer Research UK Drug Discovery Unit, Newcastle University Centre for Cancer, Paul O’Gorman Building, Medical School, Framlington Place, Newcastle University, Newcastle upon Tyne, NE2 4AD, U.K.
Martin E. M. Noble
7Cancer Research UK Drug Discovery Unit, Newcastle University Centre for Cancer, Paul O’Gorman Building, Medical School, Framlington Place, Newcastle University, Newcastle upon Tyne, NE2 4AD, U.K.
Peter O’Brien
8Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
Ailsa Powell
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Rambabu Reddi
5Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 7610001, Israel
Rachael Skyner
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Matthew Snee
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Michael J. Waring
9Cancer Research UK Drug Discovery Unit, Newcastle University Centre for Cancer, Chemistry, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne, NE1 7RU, U.K.
Conor Wild
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
Nir London
5Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 7610001, Israel
Frank von Delft
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
4Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington, OX3 7DQ, UK
10Department of Biochemistry, University of Johannesburg, Auckland Park 2006, South Africa
Martin A. Walsh
2Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, U.K.
3Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, U.K.
Posted May 27, 2020.
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandaõ-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keely, György M. Keserü, Hanna F Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, Martin A. Walsh
bioRxiv 2020.05.27.118117; doi: https://doi.org/10.1101/2020.05.27.118117
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandaõ-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keely, György M. Keserü, Hanna F Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, Martin A. Walsh
bioRxiv 2020.05.27.118117; doi: https://doi.org/10.1101/2020.05.27.118117
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