UniProt P00519
Tyrosine-protein kinase ABL1 (P00519)
Tyrosine-protein kinase ABL1 (UniProt P00519), EC 2.7.10.2: 132 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 40 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P00519
- Protein
- Tyrosine-protein kinase ABL1
- EC
- 2.7.10.2
- Experimental structures
- 132
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 40 · 5 records with a druggable one
Structures
133 records of P00519 in the MolNFT archive: 132 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1AB2 | Three-dimensional solution structure of the src homology 2 domain of C-abl | solution nmr | A | — | — |
| 1AB2 | Three-dimensional solution structure of the src homology 2 domain of C-abl | solution nmr | A | — | — |
| 1AWO | The solution NMR structure of abl SH3 and its relationship to SH2 in the SH(32) construct, 20… | solution nmr | A | — | — |
| 1AWO | The solution NMR structure of abl SH3 and its relationship to SH2 in the SH(32) construct, 20… | solution nmr | A | — | — |
| 1BBZ | Crystal structure of the abl-SH3 domain complexed with a designed high-affinity peptide ligand… | x-ray diffraction | A, C, E, G | — | — |
| 1BBZ | Crystal structure of the abl-SH3 domain complexed with a designed high-affinity peptide ligand… | x-ray diffraction | A, C, E, G | — | — |
| 1JU5 | Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by NMR… | solution nmr | C | — | — |
| 1JU5 | Ternary complex of an crk SH2 domain, crk-derived phophopeptide, and abl SH3 domain by NMR… | solution nmr | C | — | — |
| 1OPL | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | x-ray diffraction | A, B | — | — |
| 1OPL | Structural basis for the auto-inhibition of C-abl tyrosine kinase | x-ray diffraction | A, B | — | — |
| 1ZZP | Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl | solution nmr | A | — | — |
| 1ZZP | Solution structure of the F-actin binding domain of BCR-ABL/C-abl | solution nmr | A | — | — |
| 2ABL | SH3-SH2 domain fragment of human BCR-abl tyrosine kinase | x-ray diffraction | A | — | — |
| 2ABL | SH3-SH2 domain fragment of human BCR-abl tyrosine kinase | x-ray diffraction | A | — | — |
| 2E2B | Crystal structure of the c-Abl kinase domain in complex with INNO-406 | x-ray diffraction | A, B | — | — |
| 2E2B | Crystal structure of the C-abl kinase domain in complex with inno-406 | x-ray diffraction | A, B | — | — |
| 2FO0 | Organization of the SH3-SH2 unit in active and inactive forms of the C-abl tyrosine kinase | x-ray diffraction | — | — | |
| 2G1T | A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain | x-ray diffraction | A, B, C, D | — | — |
| 2G1T | A src-like inactive conformation in the abl tyrosine kinase domain | x-ray diffraction | A, B, C, D | — | — |
| 2G2F | A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain | x-ray diffraction | A, B | — | — |
| 2G2F | A src-like inactive conformation in the abl tyrosine kinase domain | x-ray diffraction | A, B | — | — |
| 2G2H | A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain | x-ray diffraction | A, B | — | — |
| 2G2H | A src-like inactive conformation in the abl tyrosine kinase domain | x-ray diffraction | A, B | — | — |
| 2G2I | A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain | x-ray diffraction | A, B | — | — |
| 2G2I | A src-like inactive conformation in the abl tyrosine kinase domain | x-ray diffraction | A, B | — | — |
| 2GQG | X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain | x-ray diffraction | A, B | — | — |
| 2GQG | X-ray crystal structure of dasatinib (bms-354825) bound to activated abl kinase domain | x-ray diffraction | A, B | — | — |
| 2HIW | Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II… | x-ray diffraction | A, B | — | — |
| 2HIW | Crystal structure of inactive conformation abl kinase catalytic domain complexed with type II… | x-ray diffraction | A, B | — | — |
| 2HYY | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | x-ray diffraction | A, B, C, D | — | — |
| 2HYY | Human abl kinase domain in complex with imatinib (STI571, glivec) | x-ray diffraction | A, B, C, D | — | — |
| 2HZ0 | Abl kinase domain in complex with NVP-AEG082 | x-ray diffraction | A, B | — | — |
| 2HZ0 | Abl kinase domain in complex with nvp-AEG082 | x-ray diffraction | A, B | — | — |
| 2HZ4 | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | x-ray diffraction | A, B, C | — | — |
| 2HZ4 | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | x-ray diffraction | A, B, C | — | — |
| 2HZI | Abl kinase domain in complex with PD180970 | x-ray diffraction | A, B | — | — |
| 2HZI | Abl kinase domain in complex with PD180970 | x-ray diffraction | A, B | — | — |
| 2O88 | Crystal structure of the N114A mutant of ABL-SH3 domain complexed with a designed high-affinity… | x-ray diffraction | A, B | — | — |
| 2O88 | Crystal structure of the N114A mutant of abl-SH3 domain complexed with a designed high-affinity… | x-ray diffraction | A, B | — | — |
| 2V7A | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | x-ray diffraction | A, B | — | — |
| 2V7A | Crystal structure of the T315I abl mutant in complex with the inhibitor pha-739358 | x-ray diffraction | A, B | — | — |
| 3CS9 | Human ABL kinase in complex with nilotinib | x-ray diffraction | A, B, C, D | — | — |
| 3CS9 | Human abl kinase in complex with nilotinib | x-ray diffraction | A, B, C, D | — | — |
| 3EG0 | Crystal structure of the N114T mutant of ABL-SH3 domain | x-ray diffraction | A | — | — |
| 3EG0 | Crystal structure of the N114T mutant of abl-SH3 domain | x-ray diffraction | A | — | — |
| 3EG1 | Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity… | x-ray diffraction | A, B | — | — |
| 3EG1 | Crystal structure of the N114Q mutant of abl-SH3 domain complexed with a designed high-affinity… | x-ray diffraction | A, B | — | — |
| 3EG2 | Crystal structure of the N114Q mutant of ABL-SH3 domain | x-ray diffraction | A | — | — |
| 3EG2 | Crystal structure of the N114Q mutant of abl-SH3 domain | x-ray diffraction | A | — | — |
| 3EG3 | Crystal structure of the N114A mutant of ABL-SH3 domain | x-ray diffraction | A | — | — |
| 3EG3 | Crystal structure of the N114A mutant of abl-SH3 domain | x-ray diffraction | A | — | — |
| 3EGU | Crystal structure of the N114A mutant of ABL-SH3 domain | x-ray diffraction | A | — | — |
| 3EGU | Crystal structure of the N114A mutant of abl-SH3 domain | x-ray diffraction | A | — | — |
| 3K2M | Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex | x-ray diffraction | A, B | — | — |
| 3K2M | Crystal structure of monobody HA4/ABL1 SH2 domain complex | x-ray diffraction | A, B | — | — |
| 3QRI | The crystal structure of human abl1 kinase domain in complex with DCC-2036 | x-ray diffraction | A, B | — | — |
| 3QRI | The crystal structure of human ABL1 kinase domain in complex with dcc- 2036 | x-ray diffraction | A, B | — | — |
| 3QRJ | The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 | x-ray diffraction | A, B | — | — |
| 3QRJ | The crystal structure of human ABL1 kinase domain T315I mutant in complex with dcc-2036 | x-ray diffraction | A, B | — | — |
| 3QRK | The crystal structure of human abl1 kinase domain in complex with DP-987 | x-ray diffraction | A | — | — |
73 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 6 records
- STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide · in 5 records
- AY7 · asciminib · in 3 records
- CL · Chloride ion · in 2 records
- KWV · ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide · in 2 records
- NIL · Nilotinib · in 2 records
- 1N1 · N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide · in 1 record
- 66K · 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide · in 1 record
- 6CI · 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide · in 1 record
- 6I5 · [3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate · in 1 record
- 8DW · 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine · in 1 record
- 8IW · 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide · in 1 record
- FVC · [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2, 3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid · in 1 record
- HJ9 · [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2, 3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid · in 1 record
- KWD · 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide · in 1 record
- KWP · ~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide · in 1 record
- PVB · Purvalanol B · in 1 record
- QEW · 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea · in 1 record
- SKI · 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine · in 1 record
Experiment against prediction
- 1OPL chain A against the predicted model P00519: TM-score 0.99, RMSD 1.00 Å
- 1OPL chain A against the predicted model P00519: TM-score 0.99, RMSD 1.00 Å
- 5MO4 chain A against the predicted model P00519: TM-score 0.98, RMSD 1.07 Å
- 5MO4 chain A against the predicted model P00519: TM-score 0.98, RMSD 1.07 Å
- 5DC4 chain A against the predicted model P00519: TM-score 0.98, RMSD 0.57 Å
- 5DC4 chain A against the predicted model P00519: TM-score 0.98, RMSD 0.57 Å
- 5DC0 chain B against the predicted model P00519: TM-score 0.98, RMSD 0.56 Å
- 5DC0 chain B against the predicted model P00519: TM-score 0.98, RMSD 0.56 Å
- 3T04 chain A against the predicted model P00519: TM-score 0.98, RMSD 0.57 Å
- 3T04 chain A against the predicted model P00519: TM-score 0.98, RMSD 0.57 Å
Elsewhere
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