7TJ0
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241
Summary for 7TJ0
Entry DOI | 10.2210/pdb7tj0/pdb |
Descriptor | 3C-like proteinase nsp5, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ACETATE ION, ... (4 entities in total) |
Functional Keywords | viral protein, viral protein-inhibitor complex, viral protein/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 1 |
Total formula weight | 34410.21 |
Authors | Forouhar, F.,Liu, H.,Iketani, S.,Zack, A.,Khanizeman, N.,Bednarova, E.,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.,Jurtschenko, C.,Lauber, M.A.,McDonald, T.,Stokes, M.,Hurst, B.,Rovis, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R. (deposition date: 2022-01-14, release date: 2022-05-04, Last modification date: 2023-10-18) |
Primary citation | Liu, 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: 35393402DOI: 10.1038/s41467-022-29413-2 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.17 Å) |
Structure validation
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