5BUJ
 
 | | ERK2 complexed with a N-H tetrahydroazaindazole | | 分子名称: | 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 | | 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 (1.85 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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5AP7
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, MONOPOLAR SPINDLE KINASE 1, ... | | 著者 | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, 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 (2.45 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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5AP4
 | | 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, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... | | 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 (2.85 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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5AND
 | | Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5AP2
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | 分子名称: | DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | | 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 (2.8 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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5ANE
 | | Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5ANJ
 | | Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | CYCLIN-DEPENDENT KINASE 2, N-(9H-purin-6-yl)thiophene-2-carboxamide | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5ANG
 | | Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | 7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5BX7
 | | PKA in complex with a benzothiophene fragment compound. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | | 著者 | Narayanan, D, Alam, K.A, Engh, R.A. | | 登録日 | 2015-06-08 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
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5BX0
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5B2K
 | | 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 (2.75 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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5BUI
 | | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | | 分子名称: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, 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 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.12 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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5AV4
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5AIK
 | | Human DYRK1A in complex with LDN-211898 | | 分子名称: | 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine, DYRK1A DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 1A, PHOSPHATE ION | | 著者 | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Cuny, G, Higgins, J, Edwards, A, Bountra, C, Knapp, S. | | 登録日 | 2015-02-15 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dyrk1A with Ldn-211898
To be published
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5A54
 | | DYRK1A IN COMPLEX WITH NITRO BENZOTHIAZOLE FRAGMENT | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-16 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.63 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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5A4Q
 | | DYRK1A IN COMPLEX WITH CHLORO BENZOTHIAZOLE FRAGMENT | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-11 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.37 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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5A6O
 | | Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3) | | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL | | 著者 | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | 登録日 | 2015-06-30 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5CEM
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5CEK
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5CQU
 | | Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | | 分子名称: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | | 登録日 | 2015-07-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors
Rsc Adv, 5, 2015
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5CSV
 | | Crystal Structure of CK2alpha with Compound 6 bound | | 分子名称: | 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-23 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.375 Å) | | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CU4
 | | Crystal structure of CK2alpha bound to CAM4066 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-24 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CVG
 | | Crystal Structure of CK2alpha with a novel closed conformation of the aD loop | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-26 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CU0
 | | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | | 分子名称: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-24 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5CI7
 | | Structure of ULK1 bound to a selective inhibitor | | 分子名称: | GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide, Serine/threonine-protein kinase ULK1 | | 著者 | Lazarus, M.B, Shokat, K.M. | | 登録日 | 2015-07-11 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1.
Bioorg.Med.Chem., 23, 2015
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