| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 1pf | Crystal structure of TTK kinase domain with an inhibitor: 401348 | 4js8 | 93.89 |
| 2 | 8rh | TTK kinase domain in complex with BAY 1217389 | 5nad | 92.97 |
| 3 | 2qk | Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) | 4o6l | 90.87 |
| 4 | 8qe | TTK kinase domain in complex with TC-Mps1-12 | 5n93 | 89.56 |
| 5 | cq7 | TTK in Complex with Inhibitor | 6b4w | 88.38 |
| 6 | o22 | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | 3vqu | 88.24 |
| 7 | 92m | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | 3h9f | 87.87 |
| 8 | ad5 | Crystal structure of human Mps1 (TTK) in complex with Reversine | 5ljj | 87.67 |
| 9 | 8pt | TTK kinase domain in complex with MPI-0479605 | 5n7v | 86.62 |
| 10 | 052 | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | 4zeg | 85.91 |
| 11 | o23 | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | 3wzk | 85.5 |
| 12 | cx4 | Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4 | 3hmp | 85.3 |
| 13 | 5o7 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 5ei2 | 84.53 |
| 14 | 5o1 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 5eho | 83.9 |
| 15 | pwu | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap6 | 83.88 |
| 16 | 8qw | TTK kinase domain in complex with BAY 1161909 | 5n9s | 83.75 |
| 17 | o43 | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | 3wzj | 83.01 |
| 18 | pwu | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap2 | 82.57 |
| 19 | o38 | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | 3wyx | 82.44 |
| 20 | 8q5 | TTK kinase domain in complex with Mps-BAY2b | 5n84 | 81.74 |
| 21 | o38 | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap1 | 81.32 |
| 22 | fmw | Introduction of a methyl group curbs metabolism of pyrido[3,4-d]pyrimidine MPS1 inhibitors and enables the discovery of the Phase 1 clinical candidate BOS172722. | 6h3k | 81.17 |
| 23 | o38 | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap4 | 80.54 |
| 24 | 5nw | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 5eh0 | 80.41 |
| 25 | 5oe | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 5ei8 | 79.68 |
| 26 | n66 | TTK kinase domain in complex with NTRC 0066-0 | 5n87 | 77.04 |
| 27 | c5n | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | 5mrb | 74.68 |
| 28 | ke7 | Crystal structure of the human TTK in complex with an inhibitor | 6n6o | 72.72 |
| 29 | wbi | MPS1 kinase with 3-aminopyridin-2-one inhibitors | 4cva | 71.23 |
| 30 | dyk | Human TTK in complex with a Dyrk1B inhibitor | 4d2s | 69.72 |
| 31 | au5 | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap0 | 69.6 |
| 32 | w2k | MPS1 kinase with 3-aminopyridin-2-one inhibitors | 4cv9 | 68.74 |
| 33 | au5 | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 5ap3 | 66.8 |