5SML

PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045)

Summary for 5SML

• Entry DOI: 10.2210/pdb5sml/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework (G_1002232)
• Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, ... (4 entities in total)
• Functional Keywords: diamond i04-1, single sequence-guideddeep generative framework, pandda, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34406.18

Authors

Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F. (deposition date: 2022-04-20, release date: 2023-04-26, Last modification date: 2024-05-22)

• Primary citation: Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F.; PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.53 Å)