EC Number   |
|---|
   3.4.22.28 | - |
| 3.4.22.28 | crystal structure of 3Cpro alone and in complex with the anti-HRV molecules compound (AG7404) and rupintrivir (AG7088) at resolutions of 1.9, 1.3, and 1.5 A is reported. This 20.2-kDa cysteine protease adopts a chymotrypsin-like fold with a catalytic triad, Cys147-His40-Glu71, located in the cleft between the two six-stranded barrels. The residues that form the inhibitor binding pockets are highly conserved among EV 3Cpros, which explains the broad activity of compounds developed initially against a specific virus |
| 3.4.22.28 | crystal structure of AG7088 bound to serotype 2 rhinovirus 3C protease, hanging-drop vapor diffusion method |
| 3.4.22.28 | crystal structure of inhibitors covalently bound to the enzyme, hanging drop vapor diffusion method |
| 3.4.22.28 | double mutant C24S/C172A |
| 3.4.22.28 | hanging drop vapor diffusion method at room temperature, to 1.5 A resolution |
| 3.4.22.28 | high-resolution cocrystal structures for the inhibitors bound to the enzyme benzyloxycarbonyl-Leu-Phe-(N,N-dimethyl-glutaminyl), benzyloxycarbonyl-Leu-Phe-[methional sulfoxide] or benzyloxycarbonyl-Leu-Phe-(N-acetyl-aminoalaninal) |
| 3.4.22.28 | high-resolution crystal structures of the EV71 3Cpro/rupintrivir complex is determined, showing that although rupintrivir interacts with EV71 3Cpro similarly to HRV 3Cpro, the C terminus of the inhibitor cannot accommodate the leaving-group pockets of EV71 3Cpro. EV71 3Cpro possesses a surface-recessive S2' pocket that is not present in HRV 3Cpro that contributes to the additional substrate binding affinity |
| 3.4.22.28 | in complex with inhibitors N-acetyl-L-leucyl-alanyl-alanyl-(N,N-dimethyl)-glutamine-fluoromethyl ketone, N-acetyl-L-leucyl-phenylalanyl-phenylalanyl-glutamate-fluoromethyl ketone, and N-acetyl-L-leucyl-alanyl-alanyl-(N,N-dimethyl)-glutamine-(1,4-dioxo-3,4-dihydro-1H-phthalazin-2-yl)methyl ketone |
| 3.4.22.28 | in complex with rupintrivir, hanging drop vapor diffusion method, using 100 mM Tris-HCl pH 8.5, 25% (w/v) PEG 4000, 0.8 M lithium chloride |
