| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | lz9 | Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor | 5hq0 | 90.87 |
| 2 | lz9 | Human CDK1/CyclinB1/CKS2 With Inhibitor | 4y72 | 90.87 |
| 3 | 1qk | CDK1/Cks2 in complex with Dinaciclib | 6gu6 | 89.85 |
| 4 | fb8 | CDK1/CyclinB/Cks2 in complex with AZD5438 | 6gu3 | 87.89 |
| 5 | fb8 | CDK1/Cks2 in complex with AZD5438 | 6gu7 | 87.26 |
| 6 | 4sp | CDK1/CyclinB1/CKS2 in complex with NU6102 | 5lqf | 85.18 |
| 7 | fc8 | CDK1/CyclinB/Cks2 in complex with CGP74514A | 6gu4 | 82.64 |
| 8 | f9z | CDK1/CyclinB/Cks2 in complex with Flavopiridol | 6gu2 | 82.54 |