7TQ3
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c
Summary for 7TQ3
Entry DOI | 10.2210/pdb7tq3/pdb |
Descriptor | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide (3 entities in total) |
Functional Keywords | covid-19, protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 69060.66 |
Authors | Lovell, S.,Battaile, K.P.,Nguyen, H.N.,Chamandi, S.D.,Picard, H.R.,Madden, T.K.,Thruman, H.A.,Kim, Y.,Groutas, W.C.,Chang, K.O. (deposition date: 2022-01-26, release date: 2022-06-22, Last modification date: 2023-10-25) |
Primary citation | Dampalla, C.S.,Nguyen, H.N.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Madden, T.K.,Thurman, H.A.,Machen, A.J.,Kashipathy, M.M.,Liu, L.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6:181-194, 2023 Cited by PubMed: 36654747DOI: 10.1021/acsptsci.2c00206 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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