| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 417 | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | 2p8s | 72.28 |
| 2 | adf | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | 2g5p | 70.78 |
| 3 | acf | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | 2g5t | 69.75 |
| 4 | axd | Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279) | 2i03 | 68.79 |
| 5 | gvb | Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine | 2jid | 62.46 |