| Index | Ligand Name | Structure | PDB code | Compound Potency nM |
| 1 | 58t | MTH1 in complex with compound 15 | 5anu | 0.4 |
| 2 | rgj | MTH1 in complex with compound 15 | 5anv | 0.5 |
| 3 | 8xt | BAY-707 in complex with MTH1 | 5nhy | 2.3 |
| 4 | 9cq | MTH1 in complex with compound 24 | 5anw | 3 |
| 5 | 2ge | Structure of human MTH1 in complex with TH588 | 4n1u | 5 |
| 6 | rux | MTH1 in complex with Ruthenium-based inhibitor | 3whw | 6 |
| 7 | vhs | Crystal structure of NUDT1 (MTH1) with S-crizotinib | 4c9x | 48 |
| 8 | rje | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | 5ant | 440 |
| 9 | vgh | Crystal structure of NUDT1 (MTH1) with R-crizotinib | 4c9w | 781 |
| 10 | rx8 | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | 5ans | 2056 |