4FL1
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![BU of 4fl1 by Molmil](/molmil-images/mine/4fl1) | Structural and Biophysical Characterization of the Syk Activation Switch | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | Authors: | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | Deposit date: | 2012-06-14 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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4FK3
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![BU of 4fk3 by Molmil](/molmil-images/mine/4fk3) | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | Descriptor: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Wang, W, Zhang, K.Y.J. | Deposit date: | 2012-06-12 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc.Natl.Acad.Sci.USA, 105, 2008
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4FOC
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![BU of 4foc by Molmil](/molmil-images/mine/4foc) | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 | Descriptor: | ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | Deposit date: | 2012-06-20 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4FC0
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![BU of 4fc0 by Molmil](/molmil-images/mine/4fc0) | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | Descriptor: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2012-05-23 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg.Med.Chem., 20, 2012
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4FNX
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![BU of 4fnx by Molmil](/molmil-images/mine/4fnx) | |
4FOD
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![BU of 4fod by Molmil](/molmil-images/mine/4fod) | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 | Descriptor: | 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | Deposit date: | 2012-06-20 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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2RFS
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![BU of 2rfs by Molmil](/molmil-images/mine/2rfs) | X-ray structure of SU11274 bound to c-Met | Descriptor: | Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | Deposit date: | 2007-10-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations. J.Biol.Chem., 283, 2008
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3GQL
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![BU of 3gql by Molmil](/molmil-images/mine/3gql) | Crystal Structure of activated receptor tyrosine kinase in complex with substrates | Descriptor: | (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol, Basic fibroblast growth factor receptor 1 | Authors: | Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J. | Deposit date: | 2009-03-24 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site. Cell(Cambridge,Mass.), 138, 2009
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3H3C
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![BU of 3h3c by Molmil](/molmil-images/mine/3h3c) | Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog | Descriptor: | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION | Authors: | Han, S, Mistry, A. | Deposit date: | 2009-04-16 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. Bioorg.Med.Chem.Lett., 19, 2009
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2RGP
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![BU of 2rgp by Molmil](/molmil-images/mine/2rgp) | Structure of EGFR in complex with hydrazone, a potent dual inhibitor | Descriptor: | Epidermal growth factor receptor, N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine, PHOSPHATE ION | Authors: | Abad, M.C. | Deposit date: | 2007-10-04 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2RL5
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![BU of 2rl5 by Molmil](/molmil-images/mine/2rl5) | Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor | Descriptor: | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Zhao, H. | Deposit date: | 2007-10-18 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis. J.Med.Chem., 51, 2008
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2RFN
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![BU of 2rfn by Molmil](/molmil-images/mine/2rfn) | x-ray structure of c-Met with inhibitor. | Descriptor: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | Deposit date: | 2007-10-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations. J.Biol.Chem., 283, 2008
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3GVU
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![BU of 3gvu by Molmil](/molmil-images/mine/3gvu) | The crystal structure of human ABL2 in complex with GLEEVEC | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Tyrosine-protein kinase ABL2 | Authors: | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Filippakopoulos, P, Roos, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-31 | Release date: | 2009-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The crystal structure of human ABL2 in complex with GLEEVEC To be Published
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3HGK
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![BU of 3hgk by Molmil](/molmil-images/mine/3hgk) | crystal structure of effect protein AvrptoB complexed with kinase Pto | Descriptor: | Effector protein hopAB2, Protein kinase | Authors: | Dong, J, Fan, F, Gu, L, Chai, J. | Deposit date: | 2009-05-14 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of the Complex between Pseudomonas Effector AvrPtoB and the Tomato Pto Kinase Reveals Both a Shared and a Unique Interface Compared with AvrPto-Pto Plant Cell, 21, 2009
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3I5N
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![BU of 3i5n by Molmil](/molmil-images/mine/3i5n) | Crystal structure of c-Met with triazolopyridazine inhibitor 13 | Descriptor: | 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A. | Deposit date: | 2009-07-06 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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3IKA
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![BU of 3ika by Molmil](/molmil-images/mine/3ika) | |
3II5
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![BU of 3ii5 by Molmil](/molmil-images/mine/3ii5) | The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION | Authors: | Xu, W, Breger, D, Torres, N, Dutia, M, Powell, D, Ciszewski, G. | Deposit date: | 2009-07-31 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3IO7
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![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-13 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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2WGJ
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![BU of 2wgj by Molmil](/molmil-images/mine/2wgj) | X-ray Structure of PF-02341066 bound to the kinase domain of c-Met | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Tran-Dube, M, Cui, J.J, Mroczkowski, B. | Deposit date: | 2009-04-20 | Release date: | 2009-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011
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2VWY
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![BU of 2vwy by Molmil](/molmil-images/mine/2vwy) | ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | Deposit date: | 2008-06-30 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines. Bioorg.Med.Chem.Lett., 18, 2008
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2VWW
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![BU of 2vww by Molmil](/molmil-images/mine/2vww) | ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | Deposit date: | 2008-06-27 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
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3IK3
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![BU of 3ik3 by Molmil](/molmil-images/mine/3ik3) | |
2VWV
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![BU of 2vwv by Molmil](/molmil-images/mine/2vwv) | ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Kettle, J.G, Leach, A.G. | Deposit date: | 2008-06-27 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
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3IOK
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![BU of 3iok by Molmil](/molmil-images/mine/3iok) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-14 | Release date: | 2009-11-10 | Last modified: | 2013-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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2V7A
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![BU of 2v7a by Molmil](/molmil-images/mine/2v7a) | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | Descriptor: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | Authors: | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. Cancer Res., 67, 2007
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