| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 7z9 | Human thymidylate synthase in complex with dUMP and nolatrexed | 5x67 | 93.1 |
| 2 | oed | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | 6pf5 | 85.48 |
| 3 | d16 | Crystal structure of mouse thymidylate synthase in ternary complex with dUMP and Tomudex | 4eb4 | 82.22 |
| 4 | d16 | Human thymidylate synthase complexed with dUMP and raltitrexed | 5x5q | 78.05 |
| 5 | oe7 | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | 6pf3 | 77.37 |
| 6 | of7 | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | 6pf4 | 75.17 |
| 7 | d16 | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | 2tsr | 65.17 |
| 8 | d16 | CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX | 1i00 | 62.79 |