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. 2020 Mar 11;52(1):56–65. doi: 10.4103/ijp.IJP_115_20

Table 1.

Details of studies representing protein database structures of major targets in coronavirus and their structures

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