2XKC
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![BU of 2xkc by Molmil](/molmil-images/mine/2xkc) | Structure of Nek2 bound to aminopyrazine compound 14 | 分子名称: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XNN
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![BU of 2xnn by Molmil](/molmil-images/mine/2xnn) | Structure of Nek2 bound to CCT242430 | 分子名称: | 1,2-ETHANEDIOL, 5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide, CHLORIDE ION, ... | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-08-05 | 公開日 | 2011-03-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2XK8
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![BU of 2xk8 by Molmil](/molmil-images/mine/2xk8) | Structure of Nek2 bound to aminopyrazine compound 15 | 分子名称: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XK6
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![BU of 2xk6 by Molmil](/molmil-images/mine/2xk6) | Structure of Nek2 bound to aminopyrazine compound 36 | 分子名称: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2, cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XNP
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![BU of 2xnp by Molmil](/molmil-images/mine/2xnp) | Structure of Nek2 bound to CCT244858 | 分子名称: | 1,2-ETHANEDIOL, 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, CHLORIDE ION, ... | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-08-05 | 公開日 | 2011-03-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2XKD
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![BU of 2xkd by Molmil](/molmil-images/mine/2xkd) | Structure of Nek2 bound to aminopyrazine compound 12 | 分子名称: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XK7
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![BU of 2xk7 by Molmil](/molmil-images/mine/2xk7) | Structure of Nek2 bound to aminopyrazine compound 23 | 分子名称: | (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XKE
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![BU of 2xke by Molmil](/molmil-images/mine/2xke) | Structure of Nek2 bound to Aminipyrazine Compound 5 | 分子名称: | 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-11-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XKF
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![BU of 2xkf by Molmil](/molmil-images/mine/2xkf) | Structure of Nek2 bound to aminopyrazine compound 2 | 分子名称: | 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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4A4X
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![BU of 4a4x by Molmil](/molmil-images/mine/4a4x) | NEK2-EDE bound to CCT248662 | 分子名称: | 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2011-10-20 | 公開日 | 2012-04-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55, 2012
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2C2G
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![BU of 2c2g by Molmil](/molmil-images/mine/2c2g) | |
2C2B
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![BU of 2c2b by Molmil](/molmil-images/mine/2c2b) | Crystallographic structure of Arabidopsis thaliana Threonine synthase complexed with pyridoxal phosphate and S-adenosylmethionine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, S-ADENOSYLMETHIONINE, ... | 著者 | Mas-Droux, C, Biou, V, Dumas, R. | 登録日 | 2005-09-27 | 公開日 | 2005-11-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site. J.Biol.Chem., 281, 2006
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2CDQ
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![BU of 2cdq by Molmil](/molmil-images/mine/2cdq) | Crystal structure of Arabidopsis thaliana aspartate kinase complexed with lysine and S- adenosylmethionine | 分子名称: | ASPARTOKINASE, D(-)-TARTARIC ACID, LYSINE, ... | 著者 | Mas-Droux, C, Curien, G, Robert-Genthon, M, Laurencin, M, Ferrer, J.L, Dumas, R. | 登録日 | 2006-01-26 | 公開日 | 2006-05-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A Novel Organization of Act Domains in Allosteric Enzymes Revealed by the Crystal Structure of Arabidopsis Aspartate Kinase Plant Cell, 18, 2006
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2XK3
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![BU of 2xk3 by Molmil](/molmil-images/mine/2xk3) | Structure of Nek2 bound to Aminopyrazine compound 35 | 分子名称: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XK4
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![BU of 2xk4 by Molmil](/molmil-images/mine/2xk4) | Structure of Nek2 bound to aminopyrazine compound 17 | 分子名称: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-07-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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2XNO
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![BU of 2xno by Molmil](/molmil-images/mine/2xno) | Structure of Nek2 bound to CCT243779 | 分子名称: | 1,2-ETHANEDIOL, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ... | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-08-05 | 公開日 | 2011-03-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2XNM
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![BU of 2xnm by Molmil](/molmil-images/mine/2xnm) | Structure of NEK2 bound to CCT | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, ... | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-08-05 | 公開日 | 2011-03-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2WQO
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![BU of 2wqo by Molmil](/molmil-images/mine/2wqo) | STRUCTURE OF NEK2 BOUND TO THE AMINOPYRIDINE CCT241950 | 分子名称: | 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2009-08-24 | 公開日 | 2009-12-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.167 Å) | 主引用文献 | An Autoinhibitory Tyrosine Motif in the Cell-Cycle- Regulated Nek7 Kinase is Released Through Binding of Nek9. Mol.Cell, 36, 2009
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4A2N
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![BU of 4a2n by Molmil](/molmil-images/mine/4a2n) | Crystal Structure of Ma-ICMT | 分子名称: | CARDIOLIPIN, ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE, PALMITIC ACID, ... | 著者 | Yang, J, Kulkarni, K, Manolaridis, I, Zhang, Z, Dodd, R.B, Mas-Droux, C, Barford, D. | 登録日 | 2011-09-27 | 公開日 | 2012-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Mechanism of Isoprenylcysteine Carboxyl Methylation from the Crystal Structure of the Integral Membrane Methyltransferase Icmt. Mol.Cell, 44, 2011
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6SK9
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![BU of 6sk9 by Molmil](/molmil-images/mine/6sk9) | Nek2 bound to purine compound 51 | 分子名称: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2 | 著者 | Bayliss, R, Byrne, M.J, Mas-Droux, C. | 登録日 | 2019-08-15 | 公開日 | 2020-06-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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