7NG3

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

Summary for 7NG3

Entry DOI	10.2210/pdb7ng3/pdb
Related PRD ID	PRD_001210
Descriptor	3C-like proteinase, CHLORIDE ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ... (4 entities in total)
Functional Keywords	sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein, mg-132
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	2
Total formula weight	68641.82
Authors	Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P. (deposition date: 2021-02-08, release date: 2021-04-07, Last modification date: 2024-01-31)
Primary citation	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 Cited by PubMed: 34769210 DOI: 10.3390/ijms222111779 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation