4JQ7
 
 | | Crystal structure of EGFR kinase domain in complex with compound 2a | | Descriptor: | (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol, Epidermal growth factor receptor | | Authors: | Peng, Y.H, Wu, J.S. | | Deposit date: | 2013-03-20 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
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4J95
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4JRV
 | | Crystal structure of EGFR kinase domain in complex with compound 4c | | Descriptor: | 4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide, Epidermal growth factor receptor | | Authors: | Peng, Y.H, Wu, J.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
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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
 | | 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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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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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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4JVG
 | | B-Raf Kinase in Complex with Birb796 | | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase B-raf | | Authors: | Lavoie, H, Thevakumaran, N, Gavory, G, Li, J, Padeganeh, A, Guiral, S, Duchaine, J, Mao, D.Y.L, Bouvier, M, Sicheri, F, Therrien, M. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Inhibitors that stabilize a closed RAF kinase domain conformation induce dimerization.
Nat.Chem.Biol., 9, 2013
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4IVB
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4IVC
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | | Descriptor: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4JIA
 | | JAK2 kinase (JH1 domain) in complex with compound 9 | | Descriptor: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4J98
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4HCT
 | | Crystal structure of ITK in complex with compound 52 | | Descriptor: | 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
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4JOA
 | | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | | Deposit date: | 2013-03-18 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
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4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4J97
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4J96
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1JPA
 | | Crystal Structure of unphosphorylated EphB2 receptor tyrosine kinase and juxtamembrane region | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, neural kinase, Nuk=Eph/Elk/Eck family receptor-like tyrosine kinase | | Authors: | Wybenga-Groot, L.E, Pawson, T, Sicheri, F. | | Deposit date: | 2001-08-01 | | Release date: | 2001-10-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for autoinhibition of the Ephb2 receptor tyrosine kinase by the unphosphorylated juxtamembrane region.
Cell(Cambridge,Mass.), 106, 2001
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2AUH
 | | Crystal structure of the Grb14 BPS region in complex with the insulin receptor tyrosine kinase | | Descriptor: | CALCIUM ION, Growth factor receptor-bound protein 14, Insulin receptor | | Authors: | Depetris, R.S, Hu, J, Gimpelevich, I, Holt, L.J, Daly, R.J, Hubbard, S.R. | | Deposit date: | 2005-08-27 | | Release date: | 2005-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for inhibition of the insulin receptor by the adaptor protein grb14.
Mol.Cell, 20, 2005
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7EEF
 | | Crystal structure of EphA7 mutant G656E | | Descriptor: | Ephrin type-A receptor 7 | | Authors: | Chakraborty, S, Varma, A.K. | | Deposit date: | 2021-03-18 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of clinically reported mutations Gly656Arg, Gly656Glu and Asp751His identified in the kinase domain of EphA7.
Biochem.Biophys.Res.Commun., 568, 2021
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7EEC
 | | Crystal structure of EphA7 mutant G656R | | Descriptor: | Ephrin type-A receptor 7 | | Authors: | Chakraborty, S, Varma, A.K. | | Deposit date: | 2021-03-18 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of clinically reported mutations Gly656Arg, Gly656Glu and Asp751His identified in the kinase domain of EphA7.
Biochem.Biophys.Res.Commun., 568, 2021
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7EED
 | | Crystal structure of EphA7 mutant D751H | | Descriptor: | Ephrin type-A receptor 7 | | Authors: | Chakraborty, S, Varma, A.K. | | Deposit date: | 2021-03-18 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of clinically reported mutations Gly656Arg, Gly656Glu and Asp751His identified in the kinase domain of EphA7.
Biochem.Biophys.Res.Commun., 568, 2021
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8EWY
 | | Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | | Authors: | Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C. | | Deposit date: | 2022-10-24 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural basis of Janus kinase trans-activation.
Cell Rep, 42, 2023
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7T6F
 | | Structure of active Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | | Authors: | Glassman, C.R, Tsutsumi, N, Jude, K.M, Garcia, K.C. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of a Janus kinase cytokine receptor complex reveals the basis for dimeric activation.
Science, 376, 2022
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3KUL
 | | Kinase domain of human ephrin type-A receptor 8 (EPHA8) | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin type-A receptor 8, GLYCEROL, ... | | Authors: | Walker, J.R, Yermekbayeva, L, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-27 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Kinase Domain of Human Ephrin Type-A Receptor 8 (Epha8)
To be Published
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