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2. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

Author

Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Carvalho Martins, Luan, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Aimon, Anthony, Bennett, James M, Brandao Neto, Jose, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin R, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, O’Brien, Peter, Jura, Natalia, Ashworth, Alan, Irwin, John J, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, and Ahel, Ivan

Subjects
Theory Of Computation, Biochemistry and Cell Biology, Biological Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Information and Computing Sciences, Prevention, Infectious Diseases, Vaccine Related, Pneumonia & Influenza, Pneumonia, Lung, Emerging Infectious Diseases, Biodefense, 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, Catalytic Domain, Crystallography, X-Ray, Humans, Models, Molecular, Molecular Docking Simulation, Protein Binding, Protein Conformation, SARS-CoV-2, Viral Nonstructural Proteins, COVID-19 Drug Treatment, QCRG Structural Biology Consortium
Abstract

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate-ribosylation signaling. This enzyme is a promising antiviral target because catalytic mutations render viruses nonpathogenic. Here, we report a massive crystallographic screening and computational docking effort, identifying new chemical matter primarily targeting the active site of the macrodomain. Crystallographic screening of 2533 diverse fragments resulted in 214 unique macrodomain-binders. An additional 60 molecules were selected from docking more than 20 million fragments, of which 20 were crystallographically confirmed. X-ray data collection to ultra-high resolution and at physiological temperature enabled assessment of the conformational heterogeneity around the active site. Several fragment hits were confirmed by solution binding using three biophysical techniques (differential scanning fluorimetry, homogeneous time-resolved fluorescence, and isothermal titration calorimetry). The 234 fragment structures explore a wide range of chemotypes and provide starting points for development of potent SARS-CoV-2 macrodomain inhibitors.

Published
2021

3. Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking

Author

Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Martins, Luan Carvalho, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Consortium, QCRG Structural Biology, Aimon, Anthony, Bennett, James M, Neto, Jose Brandao, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, Jura, Natalia, Ashworth, Alan, Irwin, John, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, and Ahel, Ivan

Subjects
Theory Of Computation, Biochemistry and Cell Biology, Biological Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Information and Computing Sciences, Lung, Prevention, Biodefense, Emerging Infectious Diseases, Infectious Diseases, Vaccine Related, 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, QCRG Structural Biology Consortium
Abstract

ABSTRACT The SARS-CoV-2 macrodomain (Mac1) within the non-structural protein 3 (Nsp3) counteracts host-mediated antiviral ADP-ribosylation signalling. This enzyme is a promising antiviral target because catalytic mutations render viruses non-pathogenic. Here, we report a massive crystallographic screening and computational docking effort, identifying new chemical matter primarily targeting the active site of the macrodomain. Crystallographic screening of diverse fragment libraries resulted in 214 unique macrodomain-binding fragments, out of 2,683 screened. An additional 60 molecules were selected from docking over 20 million fragments, of which 20 were crystallographically confirmed. X-ray data collection to ultra-high resolution and at physiological temperature enabled assessment of the conformational heterogeneity around the active site. Several crystallographic and docking fragment hits were validated for solution binding using three biophysical techniques (DSF, HTRF, ITC). Overall, the 234 fragment structures presented explore a wide range of chemotypes and provide starting points for development of potent SARS-CoV-2 macrodomain inhibitors.

Published
2020

4. Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B

Author

Tamar Skaist Mehlman, Justin T Biel, Syeda Maryam Azeem, Elliot R Nelson, Sakib Hossain, Louise Dunnett, Neil G Paterson, Alice Douangamath, Romain Talon, Danny Axford, Helen Orins, Frank von Delft, and Daniel A Keedy

Subjects
ligands, X-ray crystallography, protein structure, allostery, fragment screening, Medicine, Science, Biology (General), QH301-705.5
Abstract

Much of our current understanding of how small-molecule ligands interact with proteins stems from X-ray crystal structures determined at cryogenic (cryo) temperature. For proteins alone, room-temperature (RT) crystallography can reveal previously hidden, biologically relevant alternate conformations. However, less is understood about how RT crystallography may impact the conformational landscapes of protein-ligand complexes. Previously, we showed that small-molecule fragments cluster in putative allosteric sites using a cryo crystallographic screen of the therapeutic target PTP1B (Keedy et al., 2018). Here, we have performed two RT crystallographic screens of PTP1B using many of the same fragments, representing the largest RT crystallographic screens of a diverse library of ligands to date, and enabling a direct interrogation of the effect of data collection temperature on protein-ligand interactions. We show that at RT, fewer ligands bind, and often more weakly – but with a variety of temperature-dependent differences, including unique binding poses, changes in solvation, new binding sites, and distinct protein allosteric conformational responses. Overall, this work suggests that the vast body of existing cryo-temperature protein-ligand structures may provide an incomplete picture, and highlights the potential of RT crystallography to help complete this picture by revealing distinct conformational modes of protein-ligand systems. Our results may inspire future use of RT crystallography to interrogate the roles of protein-ligand conformational ensembles in biological function.

Published
2023
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6. Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase

Author

Joseph A. Newman, Alice Douangamath, Setayesh Yadzani, Yuliana Yosaatmadja, Antony Aimon, José Brandão-Neto, Louise Dunnett, Tyler Gorrie-stone, Rachael Skyner, Daren Fearon, Matthieu Schapira, Frank von Delft, and Opher Gileadi

Subjects
Science
Abstract

The SARS-CoV-2 NSP13 helicase is essential for viral replication and of interest as a drug target. Here, the authors present the crystal structures of NSP13 in the apo form and bound to either phosphate or the non-hydrolysable ATP analog AMP-PNP and discuss the helicase mechanism. They also perform a crystallographic fragment screening and identify 65 bound fragments, which could help in the design of new antiviral agents.

Published
2021
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7. Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19

Author

Martin A. Redhead, C. David Owen, Lennart Brewitz, Amelia H. Collette, Petra Lukacik, Claire Strain-Damerell, Sean W. Robinson, Patrick M. Collins, Philipp Schäfer, Mark Swindells, Chris J. Radoux, Iva Navratilova Hopkins, Daren Fearon, Alice Douangamath, Frank von Delft, Tika R. Malla, Laura Vangeel, Thomas Vercruysse, Jan Thibaut, Pieter Leyssen, Tu-Trinh Nguyen, Mitchell Hull, Anthony Tumber, David J. Hallett, Christopher J. Schofield, David I. Stuart, Andrew L. Hopkins, and Martin A. Walsh

Subjects
Medicine, Science
Abstract

Abstract Effective agents to treat coronavirus infection are urgently required, not only to treat COVID-19, but to prepare for future outbreaks. Repurposed anti-virals such as remdesivir and human anti-inflammatories such as barcitinib have received emergency approval but their overall benefits remain unclear. Vaccines are the most promising prospect for COVID-19, but will need to be redeveloped for any future coronavirus outbreak. Protecting against future outbreaks requires the identification of targets that are conserved between coronavirus strains and amenable to drug discovery. Two such targets are the main protease (Mpro) and the papain-like protease (PLpro) which are essential for the coronavirus replication cycle. We describe the discovery of two non-antiviral therapeutic agents, the caspase-1 inhibitor SDZ 224015 and Tarloxotinib that target Mpro and PLpro, respectively. These were identified through extensive experimental screens of the drug repurposing ReFRAME library of 12,000 therapeutic agents. The caspase-1 inhibitor SDZ 224015, was found to be a potent irreversible inhibitor of Mpro (IC50 30 nM) while Tarloxotinib, a clinical stage epidermal growth factor receptor inhibitor, is a sub micromolar inhibitor of PLpro (IC50 300 nM, Ki 200 nM) and is the first reported PLpro inhibitor with drug-like properties. SDZ 224015 and Tarloxotinib have both undergone safety evaluation in humans and hence are candidates for COVID-19 clinical evaluation.

Published
2021
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8. Exploring protein hotspots by optimized fragment pharmacophores

Author

Dávid Bajusz, Warren S. Wade, Grzegorz Satała, Andrzej J. Bojarski, Janez Ilaš, Jessica Ebner, Florian Grebien, Henrietta Papp, Ferenc Jakab, Alice Douangamath, Daren Fearon, Frank von Delft, Marion Schuller, Ivan Ahel, Amanda Wakefield, Sándor Vajda, János Gerencsér, Péter Pallai, and György M. Keserű

Subjects
Science
Abstract

Fragment-based drug discovery employs screening of small polar compounds typically exhibiting low affinity towards protein targets. Here, the authors combine the use of protein-based binding pharmacophores with the theory of protein hotspots to develop a design protocol for fragment libraries, called SpotXplorer, and validate their approach on common and emerging drug targets.

Published
2021
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9. The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies.

Author

Clarke, John D., Douangamath, Alice, Mikolajek, Halina, Bonnet-Di Placido, Marie, Ren, Jingshan, Fry, Elizabeth E., Stuart, Dave I., Hammond, John A., and Owens, Raymond J.

Subjects
*IMMUNOGLOBULINS, *BOS, *MONOCLONAL antibodies, *X-ray crystallography
Abstract

The third complementary‐determining regions of the heavy‐chain (CDR3H) variable regions (VH) of some cattle antibodies are highly extended, consisting of 48 or more residues. These 'ultralong' CDR3Hs form β‐ribbon stalks that protrude from the surface of the antibody with a disulfide cross‐linked knob region at their apex that dominates antigen interactions over the other CDR loops. The structure of the Fab fragment of a naturally paired bovine ultralong antibody (D08), identified by single B‐cell sequencing, has been determined to 1.6 Å resolution. By swapping the D08 native light chain with that of an unrelated antigen‐unknown ultralong antibody, it is shown that interactions between the CDR3s of the variable domains potentially affect the fine positioning of the ultralong CDR3H; however, comparison with other crystallographic structures shows that crystalline packing is also a major contributor. It is concluded that, on balance, the exact positioning of ultralong CDR3H loops is most likely to be due to the constraints of crystal packing. [ABSTRACT FROM AUTHOR]

Published
2024
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10. Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease

Author

Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandão-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D. Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keeley, György M. Keserü, Hanna F. Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu N. Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, and Martin A. Walsh

Subjects
Science
Abstract

The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded structures of this essential viral protein that are of interest for further drug development efforts.

Published
2020
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11. Publisher Correction: Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19

Author

Redhead, Martin A., Owen, C. David, Brewitz, Lennart, Collette, Amelia H., Lukacik, Petra, Strain-Damerell, Claire, Robinson, Sean W., Collins, Patrick M., Schäfer, Philipp, Swindells, Mark, Radoux, Chris J., Hopkins, Iva Navratilova, Fearon, Daren, Douangamath, Alice, von Delft, Frank, Malla, Tika R., Vangeel, Laura, Vercruysse, Thomas, Thibaut, Jan, Leyssen, Pieter, Nguyen, Tu-Trinh, Hull, Mitchell, Tumber, Anthony, Hallett, David J., Schofield, Christopher J., Stuart, David I., Hopkins, Andrew L., and Walsh, Martin A.

Published
2021
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12. Exploring protein hotspots by optimized fragment pharmacophores

Author

Bajusz, Dávid, Wade, Warren S., Satała, Grzegorz, Bojarski, Andrzej J., Ilaš, Janez, Ebner, Jessica, Grebien, Florian, Papp, Henrietta, Jakab, Ferenc, Douangamath, Alice, Fearon, Daren, von Delft, Frank, Schuller, Marion, Ahel, Ivan, Wakefield, Amanda, Vajda, Sándor, Gerencsér, János, Pallai, Péter, and Keserű, György M.

Published
2021
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14. Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19

Author

Redhead, Martin A., Owen, C. David, Brewitz, Lennart, Collette, Amelia H., Lukacik, Petra, Strain-Damerell, Claire, Robinson, Sean W., Collins, Patrick M., Schäfer, Philipp, Swindells, Mark, Radoux, Chris J., Hopkins, Iva Navratilova, Fearon, Daren, Douangamath, Alice, von Delft, Frank, Malla, Tika R., Vangeel, Laura, Vercruysse, Thomas, Thibaut, Jan, Leyssen, Pieter, Nguyen, Tu-Trinh, Hull, Mitchell, Tumber, Anthony, Hallett, David J., Schofield, Christopher J., Stuart, David I., Hopkins, Andrew L., and Walsh, Martin A.

Published
2021
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15. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-0da5ad92-5 (Mpro-x11557)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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16. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with KAD-UNI-80f122c8-2 (Mpro-P0743)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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17. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-362d364a-10 (Mpro-x2971)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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18. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-64a710fa-1 (Mpro-P0016)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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19. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-THA-6b94ceba-5 (Mpro-x11801)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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20. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-6c284e65-1 (Mpro-P0057)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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21. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with LOR-NOR-30067bb9-18 (Mpro-x11212)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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22. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ADA-UNI-f8e79267-5 (Mpro-x10421)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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23. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-c59291d4-3 (Mpro-x10870)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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24. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-5a013bed-2 (Mpro-P2001)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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25. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-968bafd9-1 (Mpro-P2295)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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26. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-4223bc15-12 (Mpro-P2017)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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27. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAG-UCB-a3ef7265-18 (Mpro-x11346)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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28. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e9e99895-2 (Mpro-P0640)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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29. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with LOR-NOR-30067bb9-7 (Mpro-x11254)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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30. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-bfb445d4-2 (Mpro-x11789)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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31. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5d20d11c-1 (Mpro-x11708)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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32. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-ba1ac7b9-19 (Mpro-P0904)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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33. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ERI-UCB-a0b0dbcb-9 (Mpro-x12064)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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34. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-ee636701-1 (Mpro-P2468)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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35. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-THA-8416115c-5 (Mpro-P0122)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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36. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-445f63e5-6 (Mpro-x10800)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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37. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-5a013bed-4 (Mpro-x10604)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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38. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-971238d3-5 (Mpro-x12716)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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39. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-c59291d4-2 (Mpro-x10871)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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40. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAG-UCB-cedd89ab-2 (Mpro-x11426)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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41. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TOB-UNK-c2aba166-1 (Mpro-x3325)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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42. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-20 (Mpro-P2204)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
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43. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-20 (Mpro-x10392)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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44. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-dd3ad2b5-2 (Mpro-P0808)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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45. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-7e92b6ca-1 (Mpro-x10700)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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46. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-2eddb1ff-7 (Mpro-x10789)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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47. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAR-UCB-f313ec4d-2 (Mpro-x11813)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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48. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-0da5ad92-18 (Mpro-x10494)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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49. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-7e92b6ca-2 (Mpro-x10419)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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50. Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-afb6844f-1 (Mpro-P1474)

Author

Fearon, D., primary, Aimon, A., additional, Aschenbrenner, J.C., additional, Balcomb, B.H., additional, Bertram, F.K.R., additional, Brandao-Neto, J., additional, Dias, A., additional, Douangamath, A., additional, Dunnett, L., additional, Godoy, A.S., additional, Gorrie-Stone, T.J., additional, Koekemoer, L., additional, Krojer, T., additional, Lithgo, R.M., additional, Lukacik, P., additional, Marples, P.G., additional, Mikolajek, H., additional, Nelson, E., additional, Owen, C.D., additional, Powell, A.J., additional, Rangel, V.L., additional, Skyner, R., additional, Strain-Damerell, C.M., additional, Thompson, W., additional, Tomlinson, C.W.E., additional, Wild, C., additional, Walsh, M.A., additional, and von Delft, F., additional

Published
2023
Full Text
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