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) |
Structure validation
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