7DGI
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Summary for 7DGI
Entry DOI | 10.2210/pdb7dgi/pdb |
Descriptor | 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide (3 entities in total) |
Functional Keywords | complex, inhibitor, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 68714.30 |
Authors | Shang, L.Q.,Wang, H. (deposition date: 2020-11-11, release date: 2021-11-24, Last modification date: 2023-11-29) |
Primary citation | Wang, H.,Pei, R.,Li, X.,Deng, W.,Xing, S.,Zhang, Y.,Zhang, C.,He, S.,Sun, H.,Xiao, S.,Xiong, J.,Zhang, Y.,Chen, X.,Wang, Y.,Guo, Y.,Zhang, B.,Shang, L. The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238:114458-114458, 2022 Cited by PubMed: 35635946DOI: 10.1016/j.ejmech.2022.114458 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.898 Å) |
Structure validation
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