8OKN

Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

8OKN の概要

• エントリーDOI: 10.2210/pdb8okn/pdb
• 分子名称: 3C-like proteinase nsp5, tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate, CHLORIDE ION, ... (7 entities in total)
• 機能のキーワード: sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68996.49

構造登録者

Costanzi, E.,Demitri, N.,Storici, P. (登録日: 2023-03-28, 公開日: 2023-05-03, 最終更新日: 2024-02-07)

• 主引用文献: 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; PubMed: 37043904; DOI: 10.1016/j.ejmech.2023.115311

実験手法

X-RAY DIFFRACTION (1.35 Å)