5YA5
| CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR | Descriptor: | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-08-30 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors Eur J Med Chem, 143, 2018
|
|
5X28
| Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) | Descriptor: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
|
|
5X2C
| Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) | Descriptor: | 1,2-ETHANEDIOL, 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, ... | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
|
|
5X2F
| Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) | Descriptor: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
|
|
5W84
| |
5W5J
| |
5Y25
| EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | Descriptor: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor | Authors: | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | Deposit date: | 2017-07-24 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides. Nat.Chem.Biol., 15, 2019
|
|
5Y9T
| Crystal Structure of EGFR T790M mutant in complex with naquotinib | Descriptor: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | Authors: | Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N. | Deposit date: | 2017-08-28 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer. Mol. Cancer Ther., 17, 2018
|
|
5WIK
| JAK2 Pseudokinase in complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
|
|
5WIM
| JAK2 Pseudokinase in complex with AT9283 | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
|
|
5WIJ
| JAK2 Pseudokinase in complex with NU6140 | Descriptor: | 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
|
|
5WIL
| JAK2 Pseudokinase in complex with AZD7762 | Descriptor: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
|
|
5WNO
| Crystal structure of C. elegans LET-23 kinase domain complexed with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase let-23 | Authors: | Liu, L, Thaker, T.M, Jura, N. | Deposit date: | 2017-08-01 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.386 Å) | Cite: | Regulation of Kinase Activity in the Caenorhabditis elegans EGF Receptor, LET-23. Structure, 26, 2018
|
|
5X27
| Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) | Descriptor: | 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
|
|
5XY1
| |
2O8Y
| Apo IRAK4 Kinase Domain | Descriptor: | Interleukin-1 receptor-associated kinase 4 | Authors: | Boriack-Sjodin, P.A, Mol, C. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the apo and inhibited IRAK4 kinase domain To be Published
|
|
5WR7
| Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | Descriptor: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | Authors: | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | Deposit date: | 2016-11-30 | Release date: | 2017-12-06 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol. Cancer Ther., 17, 2018
|
|
2OFU
| x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
|
|
2OH4
| Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor | Descriptor: | METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2 | Authors: | Nolte, R.T, Wang, L. | Deposit date: | 2007-01-09 | Release date: | 2007-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors. J.Med.Chem., 50, 2007
|
|
5Y5T
| Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor | Descriptor: | 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Lee, B.I. | Deposit date: | 2017-08-09 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors. Mol. Cells, 41, 2018
|
|
2OIB
| |
2OF4
| crystal structure of furanopyrimidine 1 bound to lck | Descriptor: | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Martin, M.W. | Deposit date: | 2007-01-02 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2OFV
| crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
|
|
5W85
| CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9) | Descriptor: | 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Sack, J.S. | Deposit date: | 2017-06-21 | Release date: | 2017-10-11 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5WAL
| |