Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket

Huang, C.-Y.; Metz, A.; Lange, R.; Artico, N.; Potot, C.; Hazemann, J.; Müller, M.; Dos Santos, M.; Chambovey, A.; Ritz, D.; Eris, D.; Meyer, S.; Bourquin, G.; Sharpe, M.; Mac Sweeney, A.

doi:10.1107/S2059798324000329

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 5
The reversible, covalent inhibition mechanism of 3CL^pro by isatin-based inhibitors. (a) The reversible covalent-bond formation between an isatin and Cys145. (b) A surface plasmon resonance sensorgram showing the rapidly reversible binding of cpd-28 and cpd-29. 6-Chlorochroman-4-carboxylic acid isoquinolin-4-ylamide was used at 1.25 µM as a positive control, and running buffer containing no 3CL^pro fragment was used as a negative control.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 80| Part 2| February 2024| Pages 123-136

https://doi.org/10.1107/S2059798324000329

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