3KCK
 
 | | A Novel Chemotype of Kinase Inhibitors | | Descriptor: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Wang, T, Ledeboer, M.W. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3KFA
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3KEX
 | | Crystal structure of the catalytically inactive kinase domain of the human epidermal growth factor receptor 3 (HER3) | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase erbB-3 | | Authors: | Jura, N, Shan, Y, Cao, X, Shaw, D.E, Kuriyan, J. | | Deposit date: | 2009-10-26 | | Release date: | 2009-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3.
Proc.Natl.Acad.Sci.USA, 106, 2009
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5XD6
 | | CARK1 phosphorylates ABA receptors | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase superfamily protein | | Authors: | Zhang, L, Lou, Z. | | Deposit date: | 2017-03-27 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | CARK1 phosphorylates ABA receptors
To Be Published
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5XDK
 | | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | | Descriptor: | 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 | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2017-03-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.346 Å) | | Cite: | Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
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5XFF
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
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5X5O
 | | Crystal structure of ZAK in complex with compound D2829 | | Descriptor: | 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 | | Authors: | Dai, Y.B, Zhao, P, Yun, C.H. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | 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
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5XGN
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | | Descriptor: | 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 | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2017-04-14 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
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5XP7
 | | C-Src in complex with ATP-CHCl | | Descriptor: | GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ... | | Authors: | Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
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5XDL
 | | Crystal structure of EGFR 696-1022 L858R in complex with CO-1686 | | Descriptor: | 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 | | Authors: | Yan, X.E, Zhu, S.J, Yun, C.H. | | Deposit date: | 2017-03-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5Y5U
 | | Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor | | Descriptor: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-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 (2.14 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
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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
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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
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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
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5XY1
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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
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5YU9
 | | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2017-11-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
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5ZJ6
 | | Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tyrosine-protein kinase HCK | | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2018-03-19 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Protein Expr. Purif., 150, 2018
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5Z0S
 | | Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-12-20 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
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5ZTO
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2018-05-04 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003
To Be Published
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5ZXB
 | | Crystal structure of ACK1 with compound 10d | | Descriptor: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | | Authors: | Hong, E.M, Kim, H.L, Sim, T.B. | | Deposit date: | 2018-05-18 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018
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6AAJ
 | | Crystal structure of JAK2 in complex with peficitinib | | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-15 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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5ZV2
 | | FGFR-1 in complex with ligand lenvatinib | | Descriptor: | 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, Fibroblast growth factor receptor 1 | | Authors: | Matsuki, M, Hoshi, T, Yamamoto, Y, Ikemori-Kawada, M, Minoshima, Y, Funahashi, Y, Matsui, J. | | Deposit date: | 2018-05-09 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models.
Cancer Med, 7, 2018
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6AGX
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