5B2M
 
 | | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | | 登録日 | 2016-01-19 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
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5AUV
 | | Crystal structure of DAPK1 in complex with apigenin. | | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, CHLORIDE ION, Death-associated protein kinase 1 | | 著者 | Yokoyama, T, Mizuguchi, M. | | 登録日 | 2015-06-10 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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5AV3
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5AWM
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5AP3
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, ... | | 著者 | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | 登録日 | 2015-09-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5BMS
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4ZJI
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5AAE
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | | 分子名称: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | | 著者 | McIntyre, P.J, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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5A4L
 | | DYRK1A IN COMPLEX WITH FLUORO BENZOTHIAZOLE FRAGMENT | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-10 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
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4ZY4
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5ACK
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | | 分子名称: | 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M. | | 登録日 | 2015-08-17 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5A3X
 | | DYRK1A in complex with hydroxy benzothiazole fragment | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-03 | | 公開日 | 2016-06-29 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
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5A4T
 | | DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-15 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
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5AIR
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4ZZO
 | | Human ERK2 in complex with an irreversible inhibitor | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | 登録日 | 2015-04-10 | | 公開日 | 2015-05-27 | | 最終更新日 | 2015-08-26 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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5BVF
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | 分子名称: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Ma, X, Steven, S. | | 登録日 | 2015-06-05 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5C1Q
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4Z9L
 | | THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR | | 分子名称: | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Scapin, G, Patel, S.B, Lisnock, J, Becker, J.W, Lograsso, P.V, Smart, O.S, Bricogne, G. | | 登録日 | 2015-04-10 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity.
Chem.Biol., 10, 2003
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4ZZN
 | | Human ERK2 in complex with an inhibitor | | 分子名称: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | 登録日 | 2015-04-10 | | 公開日 | 2015-05-27 | | 最終更新日 | 2015-08-26 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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4ZTQ
 | | Human Aurora A catalytic domain bound to FK932 | | 分子名称: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | | 著者 | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | 登録日 | 2015-05-14 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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5A14
 | | Human CDK2 with type II inhibitor | | 分子名称: | 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2015-04-27 | | 公開日 | 2015-07-22 | | 最終更新日 | 2019-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
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5CKW
 | | Crystal structure of LegK4_AMPPNP Kinase | | 分子名称: | CALCIUM ION, LegK4, MAGNESIUM ION, ... | | 著者 | Flayhan, A, Terradot, L. | | 登録日 | 2015-07-15 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.
Sci Rep, 5, 2015
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4ZS0
 | | Human Aurora A catalytic domain bound to SB-6-OH | | 分子名称: | 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one, Aurora kinase A | | 著者 | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | 登録日 | 2015-05-12 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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4ZTS
 | | Human Aurora A catalytic domain bound to FK1142 | | 分子名称: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | | 著者 | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | 登録日 | 2015-05-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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