4GL9
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![BU of 4gl9 by Molmil](/molmil-images/mine/4gl9) | Crystal structure of inhibitory protein SOCS3 in complex with JAK2 kinase domain and fragment of GP130 intracellular domain | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Interleukin-6 receptor subunit beta, PHOSPHATE ION, ... | Authors: | Kershaw, N.J, Murphy, J.M, Laktyushin, A, Nicola, N.A, Babon, J.J. | Deposit date: | 2012-08-14 | Release date: | 2013-03-06 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | SOCS3 binds specific receptor-JAK complexes to control cytokine signaling by direct kinase inhibition. Nat.Struct.Mol.Biol., 20, 2013
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4GK4
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![BU of 4gk4 by Molmil](/molmil-images/mine/4gk4) | Human EphA3 Kinase domain in complex with ligand 90 | Descriptor: | 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK3
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![BU of 4gk3 by Molmil](/molmil-images/mine/4gk3) | Human EphA3 Kinase domain in complex with ligand 87 | Descriptor: | 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK2
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![BU of 4gk2 by Molmil](/molmil-images/mine/4gk2) | Human EphA3 Kinase domain in complex with ligand 66 | Descriptor: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GJ3
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![BU of 4gj3 by Molmil](/molmil-images/mine/4gj3) | Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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4GJ2
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![BU of 4gj2 by Molmil](/molmil-images/mine/4gj2) | Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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4GII
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![BU of 4gii by Molmil](/molmil-images/mine/4gii) | |
4GIH
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![BU of 4gih by Molmil](/molmil-images/mine/4gih) | |
4GG7
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![BU of 4gg7 by Molmil](/molmil-images/mine/4gg7) | Crystal structure of cMET in complex with novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-08-06 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4GG5
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![BU of 4gg5 by Molmil](/molmil-images/mine/4gg5) | Crystal structure of CMET in complex with novel inhibitor | Descriptor: | 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-08-05 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4GFO
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![BU of 4gfo by Molmil](/molmil-images/mine/4gfo) | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GFM
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![BU of 4gfm by Molmil](/molmil-images/mine/4gfm) | JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GFG
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![BU of 4gfg by Molmil](/molmil-images/mine/4gfg) | Crystal structure of spleen tyrosine kinase complexed with r9021 | Descriptor: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK | Authors: | Lukacs, C, Slade, M. | Deposit date: | 2012-08-03 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases. To be Published
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4G9R
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![BU of 4g9r by Molmil](/molmil-images/mine/4g9r) | B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-07-24 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4G9C
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![BU of 4g9c by Molmil](/molmil-images/mine/4g9c) | Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | Descriptor: | 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-07-23 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4G5P
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![BU of 4g5p by Molmil](/molmil-images/mine/4g5p) | Crystal structure of EGFR kinase T790M in complex with BIBW2992 | Descriptor: | Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | Deposit date: | 2012-07-18 | Release date: | 2012-08-29 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. J.Pharmacol.Exp.Ther., 343, 2012
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4G5J
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![BU of 4g5j by Molmil](/molmil-images/mine/4g5j) | Crystal structure of EGFR kinase in complex with BIBW2992 | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | Deposit date: | 2012-07-18 | Release date: | 2012-08-29 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. J.Pharmacol.Exp.Ther., 343, 2012
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4G2F
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![BU of 4g2f by Molmil](/molmil-images/mine/4g2f) | Human EphA3 kinase domain in complex with compound 7 | Descriptor: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-07-12 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS MED.CHEM.LETT., 3, 2012
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4FZ7
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![BU of 4fz7 by Molmil](/molmil-images/mine/4fz7) | |
4FZ6
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![BU of 4fz6 by Molmil](/molmil-images/mine/4fz6) | |
4FYO
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![BU of 4fyo by Molmil](/molmil-images/mine/4fyo) | Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid | Descriptor: | 4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid, Tyrosine-protein kinase SYK | Authors: | Kuglstatter, A, Slade, M. | Deposit date: | 2012-07-05 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012
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4FYN
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![BU of 4fyn by Molmil](/molmil-images/mine/4fyn) | |
4FVR
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![BU of 4fvr by Molmil](/molmil-images/mine/4fvr) | |
4FVQ
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![BU of 4fvq by Molmil](/molmil-images/mine/4fvq) | |
4FVP
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![BU of 4fvp by Molmil](/molmil-images/mine/4fvp) | |