7DHJ

The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide

Summary for 7DHJ

Entry DOI	10.2210/pdb7dhj/pdb
Descriptor	3C-like proteinase, (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide (3 entities in total)
Functional Keywords	complex, inhibitor, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	1
Total formula weight	34206.97
Authors	Shang, L.Q.,Wang, H.,Deng, W.L.,Xing, S.,Wang, Y.X. (deposition date: 2020-11-15, 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: 35635946 DOI: 10.1016/j.ejmech.2022.114458 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.962 Å)

Structure validation