4X3J
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![BU of 4x3j by Molmil](/molmil-images/mine/4x3j) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, Angiopoietin-1 receptor | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-30 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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3PSB
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![BU of 3psb by Molmil](/molmil-images/mine/3psb) | Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors | Descriptor: | B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate | Authors: | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-12-01 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4WNM
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![BU of 4wnm by Molmil](/molmil-images/mine/4wnm) | SYK catalytic domain in complex with a potent triazolopyridine inhibitor | Descriptor: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK | Authors: | Jackson, P.J. | Deposit date: | 2014-10-13 | Release date: | 2016-01-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation. Plos One, 11, 2016
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4WUN
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![BU of 4wun by Molmil](/molmil-images/mine/4wun) | Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom | Descriptor: | Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide | Authors: | Squire, C.J, Yosaatmadja, C.J. | Deposit date: | 2014-11-02 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The 1.65 angstrom resolution structure of the complex of AZD4547 with the kinase domain of FGFR1 displays exquisite molecular recognition. Acta Crystallogr.,Sect.D, 71, 2015
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3QQU
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![BU of 3qqu by Molmil](/molmil-images/mine/3qqu) | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | Descriptor: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | Authors: | Huang, X. | Deposit date: | 2011-02-16 | Release date: | 2011-04-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4XCU
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![BU of 4xcu by Molmil](/molmil-images/mine/4xcu) | Crystal Structure of FGFR4 with an Irreversible Inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide, SULFATE ION | Authors: | Kim, J.L, Miduturu, C, Hodous, B, Brooijmans, N, Bifulco, N, Guzi, T. | Deposit date: | 2014-12-18 | Release date: | 2015-04-01 | Last modified: | 2018-12-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | First Selective Small Molecule Inhibitor of FGFR4 for the Treatment of Hepatocellular Carcinomas with an Activated FGFR4 Signaling Pathway. Cancer Discov, 5, 2015
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4XG2
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![BU of 4xg2 by Molmil](/molmil-images/mine/4xg2) | Crystal structure of ligand-free Syk | Descriptor: | Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG8
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![BU of 4xg8 by Molmil](/molmil-images/mine/4xg8) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XV2
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![BU of 4xv2 by Molmil](/molmil-images/mine/4xv2) | |
3RVG
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![BU of 3rvg by Molmil](/molmil-images/mine/3rvg) | Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor | Descriptor: | 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R. | Deposit date: | 2011-05-06 | Release date: | 2012-03-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders. J.Med.Chem., 54, 2011
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4XG3
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![BU of 4xg3 by Molmil](/molmil-images/mine/4xg3) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG7
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![BU of 4xg7 by Molmil](/molmil-images/mine/4xg7) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XLI
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![BU of 4xli by Molmil](/molmil-images/mine/4xli) | Crystal structure of Abl2/Arg kinase in complex with dasatinib | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Non-specific protein-tyrosine kinase, ZINC ION | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2015-01-13 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the ABL2/ARG kinase in complex with dasatinib. Acta Crystallogr.,Sect.F, 71, 2015
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4XG6
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![BU of 4xg6 by Molmil](/molmil-images/mine/4xg6) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG4
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![BU of 4xg4 by Molmil](/molmil-images/mine/4xg4) | Crystal structure of an inhibitor-bound Syk | Descriptor: | (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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3SKC
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![BU of 3skc by Molmil](/molmil-images/mine/3skc) | |
4XS2
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![BU of 4xs2 by Molmil](/molmil-images/mine/4xs2) | Irak4-inhibitor co-structure | Descriptor: | (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4 | Authors: | Fischmann, T.O. | Deposit date: | 2015-01-21 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. Bioorg.Med.Chem.Lett., 25, 2015
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4XG9
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![BU of 4xg9 by Molmil](/molmil-images/mine/4xg9) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XMO
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![BU of 4xmo by Molmil](/molmil-images/mine/4xmo) | Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-01-14 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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3RCD
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![BU of 3rcd by Molmil](/molmil-images/mine/3rcd) | HER2 Kinase Domain Complexed with TAK-285 | Descriptor: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2 | Authors: | Aertgeerts, K, Skene, R, Sogabe, S. | Deposit date: | 2011-03-30 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold. J.Med.Chem., 54, 2011
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4XUF
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![BU of 4xuf by Molmil](/molmil-images/mine/4xuf) | Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220) | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | Authors: | Zorn, J.A, Wang, Q, Fujimura, E, Barros, T, Kuriyan, J. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220). Plos One, 10, 2015
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4XV3
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![BU of 4xv3 by Molmil](/molmil-images/mine/4xv3) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | Descriptor: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-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 (2.8 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4XLV
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![BU of 4xlv by Molmil](/molmil-images/mine/4xlv) | |
4XV9
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![BU of 4xv9 by Molmil](/molmil-images/mine/4xv9) | B-Raf Kinase domain in complex with PLX5568 | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | Authors: | zhang, Y, zhang, c, wang, w. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4XYF
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![BU of 4xyf by Molmil](/molmil-images/mine/4xyf) | Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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