3ZEP
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![BU of 3zep by Molmil](/molmil-images/mine/3zep) | Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor | Descriptor: | 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3 | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | Deposit date: | 2012-12-06 | Release date: | 2013-12-11 | Last modified: | 2016-09-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3ZCL
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![BU of 3zcl by Molmil](/molmil-images/mine/3zcl) | X-ray Structure of c-Met kinase in complex with inhibitor (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3- b)pyridazin-6-amine | Descriptor: | (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K. | Deposit date: | 2012-11-20 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats. J.Med.Chem., 56, 2013
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3ZC6
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![BU of 3zc6 by Molmil](/molmil-images/mine/3zc6) | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | Deposit date: | 2012-11-16 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome. Bioorg.Med.Chem.Lett., 23, 2013
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3ZC5
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![BU of 3zc5 by Molmil](/molmil-images/mine/3zc5) | X-ray Structure of c-Met kinase in complex with inhibitor (S)-6-(1-(6- (1-methyl-1H-pyrazol-4-yl)-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)ethyl) quinoline. | Descriptor: | 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K. | Deposit date: | 2012-11-15 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats. J.Med.Chem., 56, 2013
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3ZBX
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![BU of 3zbx by Molmil](/molmil-images/mine/3zbx) | X-ray Structure of c-Met kinase in complex with inhibitor 6-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl) quinoline. | Descriptor: | 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Wickersham, J, Ryan, K. | Deposit date: | 2012-11-13 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats. J.Med.Chem., 56, 2013
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3ZBF
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![BU of 3zbf by Molmil](/molmil-images/mine/3zbf) | Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2012-11-08 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
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3WZE
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![BU of 3wze by Molmil](/molmil-images/mine/3wze) | KDR in complex with ligand sorafenib | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ACETATE ION, ... | Authors: | Okamoto, K, Ikemori_Kawada, M, Inoue, A, Matsui, J. | Deposit date: | 2014-09-24 | Release date: | 2015-05-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. ACS MED.CHEM.LETT., 6, 2015
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3WZD
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![BU of 3wzd by Molmil](/molmil-images/mine/3wzd) | KDR in complex with ligand lenvatinib | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, ... | Authors: | Okamoto, K, Ikemori_Kawada, M, Inoue, A, Matsui, J. | Deposit date: | 2014-09-24 | Release date: | 2015-05-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. ACS MED.CHEM.LETT., 6, 2015
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3W33
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![BU of 3w33 by Molmil](/molmil-images/mine/3w33) | EGFR kinase domain complexed with compound 19b | Descriptor: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Sogabe, S, Kawakita, Y. | Deposit date: | 2012-12-07 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors Bioorg.Med.Chem., 21, 2013
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3W32
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![BU of 3w32 by Molmil](/molmil-images/mine/3w32) | EGFR kinase domain complexed with compound 20a | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Sogabe, S, Kawakita, Y. | Deposit date: | 2012-12-07 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors Bioorg.Med.Chem., 21, 2013
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3W2S
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![BU of 3w2s by Molmil](/molmil-images/mine/3w2s) | EGFR kinase domain with compound4 | Descriptor: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2R
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![BU of 3w2r by Molmil](/molmil-images/mine/3w2r) | EGFR Kinase domain T790M/L858R mutant with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2Q
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![BU of 3w2q by Molmil](/molmil-images/mine/3w2q) | EGFR kinase domain T790M/L858R mutant with HKI-272 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2P
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![BU of 3w2p by Molmil](/molmil-images/mine/3w2p) | EGFR Kinase domain T790M/L858R mutant with compound 2 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2O
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![BU of 3w2o by Molmil](/molmil-images/mine/3w2o) | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3VW8
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![BU of 3vw8 by Molmil](/molmil-images/mine/3vw8) | Crystal structure of human c-Met kinase domain with its inhibitor | Descriptor: | CHLORIDE ION, Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide | Authors: | Matsumoto, S, Miyamoto, N, Hirayama, T, Oki, H, Okada, K, Tawada, M, Iwata, H, Miki, H, Nakamura, K, Hori, A, Imamura, S. | Deposit date: | 2012-08-08 | Release date: | 2013-08-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors. Bioorg.Med.Chem., 21, 2013
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3VS7
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![BU of 3vs7 by Molmil](/molmil-images/mine/3vs7) | Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS6
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![BU of 3vs6 by Molmil](/molmil-images/mine/3vs6) | Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate | Descriptor: | CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ... | Authors: | Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.373 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS5
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![BU of 3vs5 by Molmil](/molmil-images/mine/3vs5) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Descriptor: | 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, Tyrosine-protein kinase HCK | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS4
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![BU of 3vs4 by Molmil](/molmil-images/mine/3vs4) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Descriptor: | 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.747 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS3
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![BU of 3vs3 by Molmil](/molmil-images/mine/3vs3) | Crystal structure of HCK 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, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS2
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![BU of 3vs2 by Molmil](/molmil-images/mine/3vs2) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Descriptor: | 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Tomabechi, Y, Niwa, H, Parker, J.L, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS1
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![BU of 3vs1 by Molmil](/molmil-images/mine/3vs1) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea | Descriptor: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.464 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VS0
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![BU of 3vs0 by Molmil](/molmil-images/mine/3vs0) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide | Descriptor: | CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ... | Authors: | Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.934 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VRZ
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![BU of 3vrz by Molmil](/molmil-images/mine/3vrz) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea | Descriptor: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-21 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.218 Å) | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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