7M04
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 21c
Summary for 7M04
Entry DOI | 10.2210/pdb7m04/pdb |
Descriptor | 3C-like proteinase, (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, ... (5 entities in total) |
Functional Keywords | covid-19, protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 70625.79 |
Authors | Lovell, S.,Kashipathy, M.M.,Battaile, K.P.,Chamandi, S.D.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Jesri, A.R.M.,Nguyen, H.N.,Baird, M.A.,Miller, M.J.,Groutas, W.C.,Chang, K.O. (deposition date: 2021-03-10, release date: 2021-03-24, Last modification date: 2023-10-18) |
Primary citation | Dampalla, C.S.,Rathnayake, A.D.,Perera, K.D.,Jesri, A.M.,Nguyen, H.N.,Miller, M.J.,Thurman, H.A.,Zheng, J.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Kim, Y.,Groutas, W.C.,Chang, K.O. Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64:17846-17865, 2021 Cited by PubMed: 34865476DOI: 10.1021/acs.jmedchem.1c01037 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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