7NG6

Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1 in absence of DTT.

7NG6 の概要

• エントリーDOI: 10.2210/pdb7ng6/pdb
• 関連するBIRD辞書のPRD_ID: PRD_001210
• 分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ACETATE ION, ... (5 entities in total)
• 機能のキーワード: sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein, mg-132
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68700.86

構造登録者

Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P. (登録日: 2021-02-08, 公開日: 2021-04-07, 最終更新日: 2024-01-31)

• 主引用文献: Costanzi, E.,Kuzikov, M.,Esposito, F.,Albani, S.,Demitri, N.,Giabbai, B.,Camasta, M.,Tramontano, E.,Rossetti, G.,Zaliani, A.,Storici, P.; Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.; Int J Mol Sci, 22:-, 2021; PubMed: 34769210; DOI: 10.3390/ijms222111779

実験手法

X-RAY DIFFRACTION (1.87 Å)