| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | fse | Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin | 1xo2 | 93.45 |
| 2 | 3nu | CDK6 (monomeric) in complex with inhibitor | 3nup | 83.84 |
| 3 | 6zz | The X-ray co-crystal structure of human CDK6 and Ribociclib. | 5l2t | 81.5 |
| 4 | lqq | X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991 | 2euf | 81.04 |
| 5 | lqq | The X-ray co-crystal structure of human CDK6 and Palbociclib. | 5l2i | 79.08 |
| 6 | 24v | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | 4tth | 79 |
| 7 | ap9 | X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol | 2f2c | 77.16 |
| 8 | 3nv | CDK6 (monomeric) in complex with inhibitor | 3nux | 74.35 |
| 9 | 6zv | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | 5l2s | 72.35 |
| 10 | 0rs | CDK6 (monomeric) in complex with inhibitor | 4ez5 | 69.39 |