Table 1.
PDB ID | Details | Inhibitor | IC50 | Reference |
---|---|---|---|---|
N protein | ||||
4KXJ | Interaction between PJ34 and NTD of N protein of HCoV-OC43 | PJ34 | - | [26] |
3V3P | Structure not released | [30] | ||
4LM7 | Interactions of NTD of N protein of HCoV-OC43 with UMP | - | [26] | |
4LI4 | Interactions of NTD of N protein of HCoV-OC43 with AMP | - | [26] | |
Protease | ||||
4TWY | 3CLPro of SARS-CoV with an inhibitor | 3BL | [27] | |
4TWW | 3CLPro of SARS-CoV with an inhibitor | 41 | 63 µM | [27] |
4WY3 | 3CLPro of SARS-CoV with an inhibitor | 3X5 | 240 µM | [27] |
4OVZ | CoV PLPro complexed with inhibitor | P85 | 490 nM | [31] |
3MJ5 | SARS-CoV PLPro complexed with inhibitor | GRM | 320 nM | [32] |
2FE8 | SARS-CoV PLPro | - | - | [33] |
1UK4 | SARS-CoV 3CLPro and its interactions with an inhibitor | Substrate analog hexapeptidyl CMK inhibitor | IC50 ca. 2 mM | [34] |
1UJ1, 1UK3, 1UK2 | SARS-CoV M-pro, apo-enzyme at different pH | - | - | [34] |
3VB6 | SARS-CoV 3CLPro in complex with C6Z | C6Z | 39 µM | [35] |
3VB5 | SARS-CoV 3CLPro with C4Z | C4Z | 1.3-4.6 µM | [35] |
3TLO | HCoV-NL63 3CLPro | - | - | [36,37] |
6LU7 | Main protease of 2019-nCoV and its complex with N3 (inhibitor) | - | - | [38] |
Spike protein | ||||
5ZUV | HR1 motif of HCoV-229E in complex with EK1 | Modified OC43-HR2P peptide (EK1) | 0.19-0.62 µM | [39] |
5ZVM | EK1 in complex with SARS HR1 motif | [39] | ||
5X4S | NTD of SARS-CoV S protein | [40] | ||
5WRG | SARS-CoV S protein | [41] | ||
6Q05 | MERS-CoV S structure in complex with Sialyl-Lewis | [42] | ||
6ACG | SARS-CoV S protein: ACE-2 (conformation 1) complex | [43] | ||
6ACK | SARS-CoV S protein: ACE-2 (conformation 3) complex | [43] | ||
3SCI | RBD of S protein interaction with ACE-2 | [44] to be published |
NTD=N-terminal domain, CoV=Coronovirus, 3CLPro=3C-like protease, PLpro=Papain-like protease, MERS=Middle East respiratory syndrome, SARS=Severe acute respiratory syndrome, ACE-2=Angiotensin converting enzyme-2, RBD=Receptor-binding domain, nCoV=Novel coronavirus, S protein=Spike protein