6FV2
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Summary for 6FV2
Entry DOI | 10.2210/pdb6fv2/pdb |
Descriptor | 3C-like proteinase, GLYCEROL, (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, ... (4 entities in total) |
Functional Keywords | viral protease, coronavirus, alpha-ketoamide, inhibitor, hydrolase |
Biological source | Human coronavirus NL63 (HCoV-NL63) |
Total number of polymer chains | 3 |
Total formula weight | 101619.97 |
Authors | Zhang, L.,Hilgenfeld, R. (deposition date: 2018-02-28, release date: 2019-03-20, Last modification date: 2024-05-01) |
Primary citation | Zhang, L.,Lin, D.,Kusov, Y.,Nian, Y.,Ma, Q.,Wang, J.,von Brunn, A.,Leyssen, P.,Lanko, K.,Neyts, J.,de Wilde, A.H.,Snijder, E.J.,Liu, H.,Hilgenfeld, R. Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment. J.Med.Chem., 2020 Cited by PubMed: 32045235DOI: 10.1021/acs.jmedchem.9b01828 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.95 Å) |
Structure validation
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