8OKK
Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Summary for 8OKK
Entry DOI | 10.2210/pdb8okk/pdb |
Descriptor | 3C-like proteinase nsp5, tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate, ACETATE ION, ... (10 entities in total) |
Functional Keywords | sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 69701.09 |
Authors | Costanzi, E.,Demitri, N.,Storici, P. (deposition date: 2023-03-28, release date: 2023-05-03, Last modification date: 2024-02-07) |
Primary citation | Stefanelli, I.,Corona, A.,Cerchia, C.,Cassese, E.,Improta, S.,Costanzi, E.,Pelliccia, S.,Morasso, S.,Esposito, F.,Paulis, A.,Scognamiglio, S.,Di Leva, F.S.,Storici, P.,Brindisi, M.,Tramontano, E.,Cannalire, R.,Summa, V. Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253:115311-115311, 2023 Cited by PubMed: 37043904DOI: 10.1016/j.ejmech.2023.115311 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.63 Å) |
Structure validation
Download full validation report