5Y25
 
 | | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | | 分子名称: | (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 | | 著者 | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | | 登録日 | 2017-07-24 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
|
|
5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | 分子名称: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
|
|
5XY1
 | |
5XP7
 | | C-Src in complex with ATP-CHCl | | 分子名称: | GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ... | | 著者 | Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y. | | 登録日 | 2017-06-01 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.012 Å) | | 主引用文献 | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
|
|
5XP5
 | | C-Src in complex with ATP-Chf | | 分子名称: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | | 著者 | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | | 登録日 | 2017-06-01 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
|
|
5XGN
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2017-04-14 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
|
|
5XGM
 | | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2017-04-14 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
|
|
5XFJ
 | |
5XFF
 | |
5XDL
 | |
5XDK
 | | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | | 分子名称: | Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide | | 著者 | Yan, X.E, Yun, C.H. | | 登録日 | 2017-03-28 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | | 主引用文献 | Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
|
|
5XD6
 | | CARK1 phosphorylates ABA receptors | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase superfamily protein | | 著者 | Zhang, L, Lou, Z. | | 登録日 | 2017-03-27 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | CARK1 phosphorylates ABA receptors
To Be Published
|
|
5X5O
 | | Crystal structure of ZAK in complex with compound D2829 | | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | | 著者 | Dai, Y.B, Zhao, P, Yun, C.H. | | 登録日 | 2017-02-17 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | | 主引用文献 | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
|
|
5X2K
 | |
5X2F
 | |
5X2C
 | |
5X2A
 | |
5X28
 | | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) | | 分子名称: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Yun, C.H. | | 登録日 | 2017-01-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
|
|
5X27
 | | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) | | 分子名称: | 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Yun, C.H. | | 登録日 | 2017-01-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
|
|
5X26
 | | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | | 著者 | Yun, C.H. | | 登録日 | 2017-01-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.951 Å) | | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
|
|
5X02
 | | Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 | | 分子名称: | N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION | | 著者 | Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K. | | 登録日 | 2017-01-19 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations.
Blood, 131, 2018
|
|
5WR7
 | | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | | 分子名称: | 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 | | 著者 | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | | 登録日 | 2016-11-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
|
|
5WO4
 | | JAK1 complexed with compound 28 | | 分子名称: | 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Lesburg, C.A, Patel, S.B. | | 登録日 | 2017-08-01 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
|
|
5WNO
 | | Crystal structure of C. elegans LET-23 kinase domain complexed with AMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase let-23 | | 著者 | Liu, L, Thaker, T.M, Jura, N. | | 登録日 | 2017-08-01 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.386 Å) | | 主引用文献 | Regulation of Kinase Activity in the Caenorhabditis elegans EGF Receptor, LET-23.
Structure, 26, 2018
|
|
5WIN
 | | JAK2 Pseudokinase in complex with JNJ7706621 | | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Li, Q, Eck, M.J, Li, K, Park, E. | | 登録日 | 2017-07-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
|
|
