6LZE

The crystal structure of COVID-19 main protease in complex with an inhibitor 11a

Summary for 6LZE

Entry DOI	10.2210/pdb6lze/pdb
Related PRD ID	PRD_002347
Descriptor	3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide, ... (4 entities in total)
Functional Keywords	protease, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	1
Total formula weight	34214.22
Authors	Zhang, B.,Zhang, Y.,Jing, Z.,Liu, X.,Yang, H.,Liu, H.,Rao, Z.,Jiang, H. (deposition date: 2020-02-19, release date: 2020-04-29, Last modification date: 2023-11-29)
Primary citation	Dai, W.,Zhang, B.,Jiang, X.M.,Su, H.,Li, J.,Zhao, Y.,Xie, X.,Jin, Z.,Peng, J.,Liu, F.,Li, C.,Li, Y.,Bai, F.,Wang, H.,Cheng, X.,Cen, X.,Hu, S.,Yang, X.,Wang, J.,Liu, X.,Xiao, G.,Jiang, H.,Rao, Z.,Zhang, L.K.,Xu, Y.,Yang, H.,Liu, H. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368:1331-1335, 2020 Cited by PubMed: 32321856 DOI: 10.1126/science.abb4489 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.505 Å)

Structure validation