9ASZ
Crystal structure of SARS-CoV-2 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor
This is a non-PDB format compatible entry.
Summary for 9ASZ
Entry DOI | 10.2210/pdb9asz/pdb |
Descriptor | 3C-like proteinase nsp5, (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (3 entities in total) |
Functional Keywords | protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhibitors, covid-19, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 69036.64 |
Authors | Lovell, S.,Cooper, A.,Battaile, K.P.,Dampalla, C.S.,Groutas, W.C. (deposition date: 2024-02-26, release date: 2024-07-10, Last modification date: 2024-08-07) |
Primary citation | Dampalla, C.S.,Kim, Y.,Zabiegala, A.,Howard, D.J.,Nguyen, H.N.,Madden, T.K.,Thurman, H.A.,Cooper, A.,Liu, L.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67:11937-11956, 2024 Cited by PubMed: 38953866DOI: 10.1021/acs.jmedchem.4c00551 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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