Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | gin | Abl kinase domain in complex with NVP-AEG082 | 2hz0 | 98.46 |
2 | 7mp | Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor | 2hiw | 95.75 |
3 | sti | CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. | 1iep | 92.43 |
4 | sti | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | 3ms9 | 91.79 |
5 | sti | Structure of Abl kinase in complex with imatinib and GNF-2 | 3k5v | 91.6 |
6 | sti | ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571) | 6hd4 | 91.3 |
7 | nil | ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib | 5mo4 | 91.26 |
8 | nil | Human ABL kinase in complex with nilotinib | 3cs9 | 91.25 |
9 | sti | ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) | 6hd6 | 91.25 |
10 | prc | CRYSTAL STRUCTURE OF ABL KINASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR | 1fpu | 91.14 |
11 | sti | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | 1opj | 90.95 |
12 | 0li | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | 3oxz | 90.4 |
13 | b91 | Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template | 3kfa | 90.13 |
14 | jin | Abl kinase domain in complex with PD180970 | 2hzi | 89.94 |
15 | p16 | Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase | 2fo0 | 89.93 |
16 | 0li | AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance | 3ik3 | 89.64 |
17 | sti | C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide | 6npu | 89.6 |
18 | sti | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | 2hyy | 89.34 |
19 | sti | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | 6npe | 89.29 |
20 | p16 | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | 1opk | 89.12 |
21 | sti | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | 3pyy | 89.11 |
22 | 406 | Crystal structure of the c-Abl kinase domain in complex with INNO-406 | 2e2b | 89.11 |
23 | sti | Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site | 3mss | 89.06 |
24 | sti | C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide | 6npv | 88.81 |
25 | 9dp | The crystal structure of human abl1 kinase domain in complex with DP-987 | 3qrk | 88.26 |
26 | p17 | Crystal Structure of the c-Abl Kinase domain in complex with PD173955 | 1m52 | 86.89 |
27 | kwv | C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide | 6npu | 86.41 |
28 | p16 | A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain | 2g2h | 86.41 |
29 | xy3 | Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589 | 3oy3 | 86.3 |
30 | axi | The crystal structure of human abl1 wild type kinase domain in complex with axitinib | 4wa9 | 85.02 |
31 | p3y | Crystal Structure of Abl kinase bound with PPY-A | 2qoh | 84.66 |
32 | p3y | Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A | 2z60 | 84.4 |
33 | sx7 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | 3dk7 | 83.89 |
34 | axi | The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib | 4twp | 83.52 |
35 | sx7 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | 3dk3 | 83.19 |
36 | vx6 | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | 2f4j | 79.69 |
37 | kwp | C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide | 6npv | 79.62 |
38 | sx7 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | 3dk6 | 78.14 |
39 | vx6 | VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations. | 4zog | 76.64 |
40 | 3yy | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | 3pyy | 75.56 |
41 | 1n1 | X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain | 2gqg | 74.77 |
42 | 627 | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | 2v7a | 74.09 |
43 | 4b7 | C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | 4yc8 | 72.19 |
44 | pvb | Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models | 6bl8 | 72.08 |
45 | db8 | Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain | 3ue4 | 68.78 |
46 | 1n1 | Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase | 4xey | 68.26 |