7L10

CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4

Summary for 7L10

Entry DOI	10.2210/pdb7l10/pdb
Descriptor	3C-like proteinase, 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile (3 entities in total)
Functional Keywords	novel coronavirus, antiviral, drug design, viral protein, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34243.82
Authors	Deshmukh, M.G.,Ippolito, J.A.,Stone, E.A.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2020-12-13, release date: 2021-03-03, Last modification date: 2023-10-18)
Primary citation	Zhang, C.H.,Stone, E.A.,Deshmukh, M.,Ippolito, J.A.,Ghahremanpour, M.M.,Tirado-Rives, J.,Spasov, K.A.,Zhang, S.,Takeo, Y.,Kudalkar, S.N.,Liang, Z.,Isaacs, F.,Lindenbach, B.,Miller, S.J.,Anderson, K.S.,Jorgensen, W.L. Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7:467-475, 2021 Cited by PubMed: 33786375 DOI: 10.1021/acscentsci.1c00039 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.63 Å)

Structure validation