| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 8fq | hPAD4 crystal complex with AFM-30a | 5n0y | 72.95 |
| 2 | 8ft | hPAD4 crystal complex with AFM-41a | 5n0z | 72.61 |
| 3 | yff | Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine | 3b1u | 72.37 |
| 4 | 8fw | hPAD4 crystal complex with AFM-14a | 5n1b | 71.9 |
| 5 | bag | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with benzoyl-L-arginine amide | 1wda | 71.59 |
| 6 | ycl | Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine | 3b1t | 71.57 |
| 7 | 8ht | hPAD4 crystal complex with BB-F-amidine | 5n0m | 64.46 |