| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | yiy | Crystal structure of compound 8 bound to TAK1-TAB | 2yiy | 91.34 |
| 2 | adn | Structural Basis for the Interaction of TAK1 Kinase with its Activating Protein TAB1 | 2eva | 90.08 |
| 3 | 6v3 | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | 5gjd | 89.48 |
| 4 | 1fm | Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol | 4gs6 | 88.41 |
| 5 | ng2 | Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | 4o91 | 87.99 |
| 6 | edh | Crystal structure of Takinib bound to TAK1 | 5v5n | 82.68 |
| 7 | 6v4 | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | 5gjf | 80 |
| 8 | 6v5 | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | 5gjg | 76.77 |
| 9 | 6l4 | Crystal structure of TL11-128 bound to TAK1-TAB1 | 5jk3 | 76.18 |
| 10 | 1uo | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | 4l53 | 74.27 |
| 11 | 1ul | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | 4l52 | 73.91 |
| 12 | 6h3 | Crystal structure of SM1-71 bound to TAK1-TAB1 | 5j7s | 73.65 |
| 13 | 6kc | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | 5jga | 73.49 |
| 14 | 6hf | Crystal structure of CPT1691 bound to TAK1-TAB1 | 5j9l | 73.45 |
| 15 | t92 | Crystal structure of TL10-92 bound to TAK1-TAB1 | 5jh6 | 72.4 |
| 16 | 5kw | Crystal structure of TL10-81 bound to TAK1-TAB1 | 5e7r | 72.33 |
| 17 | 6h4 | Crystal structure of TL11-113 bound to TAK1-TAB1 | 5j8i | 70.23 |
| 18 | 6jv | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | 5jgb | 57.64 |