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7L14

CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26

Summary for 7L14
Entry DOI10.2210/pdb7l14/pdb
Descriptor3C-like proteinase, 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile (3 entities in total)
Functional Keywordsnovel coronavirus, antiviral, drug design, viral protein, hydrolase
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2 )
Total number of polymer chains2
Total formula weight68558.93
Authors
Deshmukh, M.G.,Ippolito, J.A.,Stone, E.A.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2020-12-14, release date: 2021-03-03, Last modification date: 2023-10-18)
Primary citationZhang, 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 (1.8 Å)
Structure validation

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