4XV1
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![BU of 4xv1 by Molmil](/molmil-images/mine/4xv1) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 | Descriptor: | N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4Y95
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![BU of 4y95 by Molmil](/molmil-images/mine/4y95) | Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, ... | Authors: | Wang, Q, Rosen, C.E, Kuriyan, J. | Deposit date: | 2015-02-16 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate. Elife, 4, 2015
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3SRV
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![BU of 3srv by Molmil](/molmil-images/mine/3srv) | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | Descriptor: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2011-07-07 | Release date: | 2011-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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4YBK
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![BU of 4ybk by Molmil](/molmil-images/mine/4ybk) | C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase | Descriptor: | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-18 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4Y73
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![BU of 4y73 by Molmil](/molmil-images/mine/4y73) | Crystal structure of IRAK4 kinase domain with inhibitor | Descriptor: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Lesburg, C.A. | Deposit date: | 2015-02-13 | Release date: | 2015-05-20 | Last modified: | 2015-07-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. Acs Med.Chem.Lett., 6, 2015
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4YJP
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![BU of 4yjp by Molmil](/molmil-images/mine/4yjp) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223 | Descriptor: | 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YJU
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![BU of 4yju by Molmil](/molmil-images/mine/4yju) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249 | Descriptor: | N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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3RHK
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![BU of 3rhk by Molmil](/molmil-images/mine/3rhk) | Crystal structure of the catalytic domain of c-Met kinase in complex with ARQ 197 | Descriptor: | 1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium, Hepatocyte growth factor receptor | Authors: | Eathiraj, S, Palma, R, Volckova, E, Hirschi, M, France, D.S, Ashwell, M.A, Chan, T.C. | Deposit date: | 2011-04-11 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of a novel mode of protein kinase inhibition characterized by the mechanism of inhibition of human mesenchymal-epithelial transition factor (c-Met) protein autophosphorylation by ARQ 197. J.Biol.Chem., 286, 2011
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3RHX
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![BU of 3rhx by Molmil](/molmil-images/mine/3rhx) | Crystal structure of the catalytic domain of FGFR1 kinase in complex with ARQ 069 | Descriptor: | (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine, 1,2-ETHANEDIOL, Basic fibroblast growth factor receptor 1, ... | Authors: | Eathiraj, S, Palma, R, Hirschi, M, Volckova, E, Nakuci, E, Castro, J, Chen, C.R, Chan, T.C, France, D.S, Ashwell, M.A. | Deposit date: | 2011-04-12 | Release date: | 2011-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A novel mode of protein kinase inhibition exploiting hydrophobic motifs of autoinhibited kinases: discovery of ATP-independent inhibitors of fibroblast growth factor receptor. J.Biol.Chem., 286, 2011
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4YHT
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![BU of 4yht by Molmil](/molmil-images/mine/4yht) | bRaf complexed with an inhibitor | Descriptor: | 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase B-raf | Authors: | Shewchuk, L.M, Lawhorn, B.G. | Deposit date: | 2015-02-27 | Release date: | 2016-03-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | GSK114: A selective inhibitor for elucidating the biological role of TNNI3K. Bioorg.Med.Chem.Lett., 26, 2016
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4YFF
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![BU of 4yff by Molmil](/molmil-images/mine/4yff) | TNNI3K complexed with inhibitor 2 | Descriptor: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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4YNE
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![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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3S95
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![BU of 3s95 by Molmil](/molmil-images/mine/3s95) | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine To be Published
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4YJT
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![BU of 4yjt by Molmil](/molmil-images/mine/4yjt) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233 | Descriptor: | GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YMJ
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![BU of 4ymj by Molmil](/molmil-images/mine/4ymj) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4YTF
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![BU of 4ytf by Molmil](/molmil-images/mine/4ytf) | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | Deposit date: | 2015-03-17 | Release date: | 2015-08-12 | Last modified: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
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3QTI
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![BU of 3qti by Molmil](/molmil-images/mine/3qti) | c-Met Kinase in Complex with NVP-BVU972 | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ... | Authors: | Appleton, B.A. | Deposit date: | 2011-02-22 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients. Cancer Res., 71, 2011
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4YTI
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![BU of 4yti by Molmil](/molmil-images/mine/4yti) | |
4YC8
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![BU of 4yc8 by Molmil](/molmil-images/mine/4yc8) | C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ... | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-19 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4YJQ
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![BU of 4yjq by Molmil](/molmil-images/mine/4yjq) | SYK kinase domain in complex with inhibitor GTC000224 | Descriptor: | 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YJR
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![BU of 4yjr by Molmil](/molmil-images/mine/4yjr) | SYK kinase domain in complex with inhibitor GTC000225 | Descriptor: | 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YFI
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![BU of 4yfi by Molmil](/molmil-images/mine/4yfi) | TNNI3K complexed with inhibitor 1 | Descriptor: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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4YHF
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![BU of 4yhf by Molmil](/molmil-images/mine/4yhf) | Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor | Descriptor: | (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Paavilainen, V.O, McFarland, J.M, Taunton, J. | Deposit date: | 2015-02-27 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prolonged and tunable residence time using reversible covalent kinase inhibitors. Nat.Chem.Biol., 11, 2015
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4YP8
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![BU of 4yp8 by Molmil](/molmil-images/mine/4yp8) | Irak4-inhibitor co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Fischmann, T.O. | Deposit date: | 2015-03-12 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.641 Å) | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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4YO6
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![BU of 4yo6 by Molmil](/molmil-images/mine/4yo6) | Irak4-inhibitor co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Fischmann, T.O. | Deposit date: | 2015-03-11 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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