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7TIV

Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48

Summary for 7TIV
Entry DOI10.2210/pdb7tiv/pdb
Descriptor3C-like proteinase nsp5, (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... (4 entities in total)
Functional Keywordsviral protein, viral protein-inhibitor complex, viral protein/inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains1
Total formula weight34407.90
Authors
Primary citationLiu, H.,Iketani, S.,Zask, A.,Khanizeman, N.,Bednarova, E.,Forouhar, F.,Fowler, B.,Hong, S.J.,Mohri, H.,Nair, M.S.,Huang, Y.,Tay, N.E.S.,Lee, S.,Karan, C.,Resnick, S.J.,Quinn, C.,Li, W.,Shion, H.,Xia, X.,Daniels, J.D.,Bartolo-Cruz, M.,Farina, M.,Rajbhandari, P.,Jurtschenko, C.,Lauber, M.A.,McDonald, T.,Stokes, M.E.,Hurst, B.L.,Rovis, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R.
Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13:1891-1891, 2022
Cited by
PubMed: 35393402
DOI: 10.1038/s41467-022-29413-2
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.08 Å)
Structure validation

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