5SMM

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 Z1633315555 (Mpro-IBM0058)

Summary for 5SMM

• Entry DOI: 10.2210/pdb5smm/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, N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide, ... (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: 34545.58

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 (1.58 Å)