5J7S
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![BU of 5j7s by Molmil](/molmil-images/mine/5j7s) | Crystal structure of SM1-71 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5JGB
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![BU of 5jgb by Molmil](/molmil-images/mine/5jgb) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | Descriptor: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5IUH
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![BU of 5iuh by Molmil](/molmil-images/mine/5iuh) | Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d | Descriptor: | 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide, ALK tyrosine kinase receptor | Authors: | Tu, C.H, Wu, S.Y. | Deposit date: | 2016-03-18 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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5JKG
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![BU of 5jkg by Molmil](/molmil-images/mine/5jkg) | The crystal structure of FGFR4 kinase domain in complex with LY2874455 | 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, L, Chen, Y. | Deposit date: | 2016-04-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455 Plos One, 11, 2016
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6PMA
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![BU of 6pma by Molmil](/molmil-images/mine/6pma) | TRK-A IN COMPLEX WITH LIGAND | Descriptor: | High affinity nerve growth factor receptor, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | Authors: | Subramanian, G, Brown, D.G. | Deposit date: | 2019-07-01 | Release date: | 2020-02-26 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6P7G
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![BU of 6p7g by Molmil](/molmil-images/mine/6p7g) | The co-crystal structure of BRAF(V600E) with PHI1 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Agianian, B, Gavathiotis, E. | Deposit date: | 2019-06-05 | Release date: | 2020-09-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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5J9L
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![BU of 5j9l by Molmil](/molmil-images/mine/5j9l) | Crystal structure of CPT1691 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-10 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7515 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5J9Z
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![BU of 5j9z by Molmil](/molmil-images/mine/5j9z) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | Descriptor: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Becker, C, Engel, J, Rauh, D. | Deposit date: | 2016-04-11 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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6PL1
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![BU of 6pl1 by Molmil](/molmil-images/mine/6pl1) | TRK-A IN COMPLEX WITH LIGAND 1B | Descriptor: | High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | Authors: | Subramanian, G. | Deposit date: | 2019-06-30 | Release date: | 2019-10-09 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Lead identification and characterization of hTrkA type 2 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6PMB
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![BU of 6pmb by Molmil](/molmil-images/mine/6pmb) | TRK-A IN COMPLEX WITH LIGAND 1a | Descriptor: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor | Authors: | Subramanian, G, Brown, D.G. | Deposit date: | 2019-07-01 | Release date: | 2020-02-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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5JGD
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![BU of 5jgd by Molmil](/molmil-images/mine/5jgd) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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6P1L
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![BU of 6p1l by Molmil](/molmil-images/mine/6p1l) | Crystal structure of EGFR in complex with EAI045 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-20 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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5IUI
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![BU of 5iui by Molmil](/molmil-images/mine/5iui) | Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4 | Descriptor: | ALK tyrosine kinase receptor, N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Authors: | Tu, C.H, Wu, S.Y. | Deposit date: | 2016-03-18 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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6P68
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![BU of 6p68 by Molmil](/molmil-images/mine/6p68) | |
6P3D
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![BU of 6p3d by Molmil](/molmil-images/mine/6p3d) | The co-crystal structure of BRAF(V600E) with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | Authors: | Agianian, B, Gavathiotis, E. | Deposit date: | 2019-05-23 | Release date: | 2020-09-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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6P1D
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![BU of 6p1d by Molmil](/molmil-images/mine/6p1d) | Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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1IEP
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![BU of 1iep by Molmil](/molmil-images/mine/1iep) | CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL | Authors: | Nagar, B, Bornmann, W, Schindler, T, Clarkson, B, Kuriyan, J. | Deposit date: | 2001-04-10 | Release date: | 2001-04-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571) Cancer Res., 62, 2002
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1IRK
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![BU of 1irk by Molmil](/molmil-images/mine/1irk) | CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HUMAN INSULIN RECEPTOR | Descriptor: | ETHYL MERCURY ION, INSULIN RECEPTOR TYROSINE KINASE DOMAIN | Authors: | Hubbard, S.R, Wei, L, Ellis, L, Hendrickson, W.A. | Deposit date: | 1995-01-02 | Release date: | 1995-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine kinase domain of the human insulin receptor. Nature, 372, 1994
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1IR3
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![BU of 1ir3 by Molmil](/molmil-images/mine/1ir3) | |
1JQH
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![BU of 1jqh by Molmil](/molmil-images/mine/1jqh) | IGF-1 receptor kinase domain | Descriptor: | IGF-1 receptor kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Pautsch, A, Zoephel, A, Ahorn, H, Spevak, W, Hauptmann, R, Nar, H. | Deposit date: | 2001-08-07 | Release date: | 2002-04-19 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of bisphosphorylated IGF-1 receptor kinase: insight into domain movements upon kinase activation. Structure, 9, 2001
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1K3A
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![BU of 1k3a by Molmil](/molmil-images/mine/1k3a) | Structure of the Insulin-like Growth Factor 1 Receptor Kinase | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, insulin receptor substrate 1, insulin-like growth factor 1 receptor | Authors: | Favelyukis, S, Till, J.H, Hubbard, S.R, Miller, W.T. | Deposit date: | 2001-10-02 | Release date: | 2001-11-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and autoregulation of the insulin-like growth factor 1 receptor kinase. Nat.Struct.Biol., 8, 2001
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1I44
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![BU of 1i44 by Molmil](/molmil-images/mine/1i44) | CRYSTALLOGRAPHIC STUDIES OF AN ACTIVATION LOOP MUTANT OF THE INSULIN RECEPTOR TYROSINE KINASE | Descriptor: | INSULIN RECEPTOR, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Till, J.H, Ablooglu, A.J, Frankel, M, Kohanski, R.A, Hubbard, S.R. | Deposit date: | 2001-02-19 | Release date: | 2001-03-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic and solution studies of an activation loop mutant of the insulin receptor tyrosine kinase: insights into kinase mechanism. J.Biol.Chem., 276, 2001
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1K2P
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![BU of 1k2p by Molmil](/molmil-images/mine/1k2p) | Crystal structure of Bruton's tyrosine kinase domain | Descriptor: | Tyrosine-protein kinase BTK | Authors: | Mao, C, Zhou, M, Uckun, F.M. | Deposit date: | 2001-09-28 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Bruton's tyrosine kinase domain suggests a novel pathway for activation and provides insights into the molecular basis of X-linked agammaglobulinemia. J.Biol.Chem., 276, 2001
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5B7V
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![BU of 5b7v by Molmil](/molmil-images/mine/5b7v) | Human FGFR1 kinase in complex with CH5183284 | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone | Authors: | Fukami, T.A, Lukacs, C.M, Janson, C. | Deposit date: | 2016-06-09 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor Mol.Cancer Ther., 13, 2014
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5AR8
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![BU of 5ar8 by Molmil](/molmil-images/mine/5ar8) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide | Descriptor: | 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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