5J1W
 
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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5J1V
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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6TT8
 | | Haddock model of NDM-1/morin complex | | 分子名称: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Metallo beta lactamase NDM-1, ZINC ION | | 著者 | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | 登録日 | 2019-12-25 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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6TTC
 | | Haddock model of NDM-1/myricetin complex | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Metallo beta lactamase NDM-1, ZINC ION | | 著者 | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | 登録日 | 2019-12-26 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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6Q8P
 | | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | | 分子名称: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | | 著者 | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-15 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
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6Q8K
 | | CLK1 with bound pyridoquinazoline | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine | | 著者 | Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
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6TTA
 | | Haddock model of NDM-1/quercetin complex | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION | | 著者 | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | 登録日 | 2019-12-26 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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8RDK
 | | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | | 著者 | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-12-08 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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