7AK2
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![BU of 7ak2 by Molmil](/molmil-images/mine/7ak2) | Structure of DYRK1A in complex with compound 53 | 分子名称: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJV
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![BU of 7ajv by Molmil](/molmil-images/mine/7ajv) | Structure of DYRK1A in complex with compound 38 | 分子名称: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJA
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7AJW
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![BU of 7ajw by Molmil](/molmil-images/mine/7ajw) | Structure of DYRK1A in complex with compound 46 | 分子名称: | 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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8UDC
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![BU of 8udc by Molmil](/molmil-images/mine/8udc) | Crystal structure of TcPINK1 in complex with CYC116 | 分子名称: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Veyron, S, Rasool, S, Trempe, J.F. | 登録日 | 2023-09-28 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural Characterization of a small-molecule inhibitor of PINK1, a precursor tool compound for the study of Parkinson's disease To Be Published
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7AT5
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![BU of 7at5 by Molmil](/molmil-images/mine/7at5) | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | 登録日 | 2020-10-29 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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7ATV
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![BU of 7atv by Molmil](/molmil-images/mine/7atv) | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | 登録日 | 2020-10-31 | 公開日 | 2021-08-04 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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7AT9
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![BU of 7at9 by Molmil](/molmil-images/mine/7at9) | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | 登録日 | 2020-10-29 | 公開日 | 2021-08-04 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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7AUV
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![BU of 7auv by Molmil](/molmil-images/mine/7auv) | The structure of ERK2 in complex with dual inhibitor ASTX029 | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | 著者 | O'Reilly, M. | 登録日 | 2020-11-03 | 公開日 | 2021-10-06 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK. Mol.Cancer Ther., 20, 2021
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8WGF
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![BU of 8wgf by Molmil](/molmil-images/mine/8wgf) | The Crystal Structure of JNK3 from Biortus. | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | 登録日 | 2023-09-21 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The Crystal Structure of JNK3 from Biortus. To Be Published
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8WJY
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![BU of 8wjy by Molmil](/molmil-images/mine/8wjy) | PKMYT1_Cocrystal_Cpd 4 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | 著者 | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | 登録日 | 2023-09-26 | 公開日 | 2023-11-22 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer. J.Med.Chem., 67, 2024
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8WF4
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![BU of 8wf4 by Molmil](/molmil-images/mine/8wf4) | The Crystal Structure of RSK1 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1 | 著者 | Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J. | 登録日 | 2023-09-19 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The Crystal Structure of RSK1 from Biortus. To Be Published
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8X5M
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![BU of 8x5m by Molmil](/molmil-images/mine/8x5m) | The Crystal Structure of JNK1 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ... | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | 登録日 | 2023-11-17 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Crystal Structure of JNK1 from Biortus. To Be Published
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8X72
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![BU of 8x72 by Molmil](/molmil-images/mine/8x72) | The Crystal Structure of PLK1 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B. | 登録日 | 2023-11-22 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Crystal Structure of PLK1 from Biortus. To Be Published
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8X23
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![BU of 8x23 by Molmil](/molmil-images/mine/8x23) | The Crystal Structure of MAPK13 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | 登録日 | 2023-11-09 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Crystal Structure of MAPK13 from Biortus. To Be Published
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7AXV
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![BU of 7axv by Molmil](/molmil-images/mine/7axv) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 5-isoquinolinesulfonic acid and PKI (5-24) | 分子名称: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | 登録日 | 2020-11-10 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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7AXT
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7AY9
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![BU of 7ay9 by Molmil](/molmil-images/mine/7ay9) | Crystal structure of CK2 bound by compound 7 | 分子名称: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | 著者 | Ferguson, A, Collie, G.W. | 登録日 | 2020-11-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics. To Be Published
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7AYA
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7AXW
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8X5L
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![BU of 8x5l by Molmil](/molmil-images/mine/8x5l) | The Crystal Structure of PRKACA from Biortus. | 分子名称: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | 登録日 | 2023-11-17 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The Crystal Structure of PRKACA from Biortus. To Be Published
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6ZWR
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![BU of 6zwr by Molmil](/molmil-images/mine/6zwr) | p38a bound with SR92 | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2020-07-28 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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7A49
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![BU of 7a49 by Molmil](/molmil-images/mine/7a49) | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | 分子名称: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-19 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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8WM0
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![BU of 8wm0 by Molmil](/molmil-images/mine/8wm0) | Crystal structure of TNIK-thiopeptide wTP3 complex | 分子名称: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | 著者 | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | 登録日 | 2023-10-01 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
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7A22
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![BU of 7a22 by Molmil](/molmil-images/mine/7a22) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | 分子名称: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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