8A46
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![BU of 8a46 by Molmil](/molmil-images/mine/8a46) | Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879 | 分子名称: | 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid, Kelch-like ECH-associated protein 1 | 著者 | Weber, C, Vuillard, L, Delerive, P, Miallau, L. | 登録日 | 2022-06-10 | 公開日 | 2022-07-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.323 Å) | 主引用文献 | Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice. JHEP Rep, 5, 2023
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8A66
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![BU of 8a66 by Molmil](/molmil-images/mine/8a66) | Crystal structure of MST2 in complex with XMU-MP-1 | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit | 著者 | Nawrotek, A, Vuillard, L, Miallau, L, Weber, C. | 登録日 | 2022-06-16 | 公開日 | 2022-07-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879 To Be Published
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1A03
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![BU of 1a03 by Molmil](/molmil-images/mine/1a03) | THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES | 分子名称: | CALCYCLIN (RABBIT, CA2+) | 著者 | Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J. | 登録日 | 1997-12-08 | 公開日 | 1999-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins. Structure, 6, 1998
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8A5J
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![BU of 8a5j by Molmil](/molmil-images/mine/8a5j) | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit | 著者 | Nawrotek, A, Vuillard, L, Miallau, L. | 登録日 | 2022-06-15 | 公開日 | 2022-07-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.123 Å) | 主引用文献 | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879 To Be Published
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7AKE
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![BU of 7ake by Molmil](/molmil-images/mine/7ake) | Structure of DYRK1A in complex with compound 58 | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-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 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ4
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![BU of 7aj4 by Molmil](/molmil-images/mine/7aj4) | |
7AKH
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![BU of 7akh by Molmil](/molmil-images/mine/7akh) | Structure of DYRK2 in complex with compound 58 | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-10-01 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKB
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![BU of 7akb by Molmil](/molmil-images/mine/7akb) | Structure of DYRK1A in complex with compound 56 | 分子名称: | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 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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7AJY
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![BU of 7ajy by Molmil](/molmil-images/mine/7ajy) | Structure of DYRK1A in complex with compound 51 | 分子名称: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]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 (2.2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKL
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![BU of 7akl by Molmil](/molmil-images/mine/7akl) | Structure of DYRK1A in complex with compound 50 | 分子名称: | 4-(2,3-dimethyl-1-benzofuran-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 | 2020-10-01 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ2
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7AJ8
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![BU of 7aj8 by Molmil](/molmil-images/mine/7aj8) | |
7AKF
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![BU of 7akf by Molmil](/molmil-images/mine/7akf) | Structure of DYRK2 in complex with compound 50 | 分子名称: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ7
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![BU of 7aj7 by Molmil](/molmil-images/mine/7aj7) | Structure of DYRK1A in complex with compound 16 | 分子名称: | 4-(3-methylbenzimidazol-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 | 2020-09-28 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJS
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![BU of 7ajs by Molmil](/molmil-images/mine/7ajs) | Structure of DYRK1A in complex with compound 33 | 分子名称: | 4-(2-methyl-1-benzofuran-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 (2.15 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ5
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![BU of 7aj5 by Molmil](/molmil-images/mine/7aj5) | Structure of DYRK1A in complex with compound 10 | 分子名称: | 4-(1-benzofuran-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 | 2020-09-28 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJM
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![BU of 7ajm by Molmil](/molmil-images/mine/7ajm) | Structure of DYRK1A in complex with compound 32 | 分子名称: | DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide | 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 (2.4 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKA
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![BU of 7aka by Molmil](/molmil-images/mine/7aka) | Structure of DYRK1A in complex with compound 54 | 分子名称: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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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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3CYS
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![BU of 3cys by Molmil](/molmil-images/mine/3cys) | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX | 分子名称: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Spitzfaden, C, Braun, W, Wider, G, Widmer, H, Wuthrich, K. | 登録日 | 1994-02-28 | 公開日 | 1994-08-31 | 最終更新日 | 2017-11-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Determination of the NMR Solution Structure of the Cyclophilin A-Cyclosporin a Complex. J.Biomol.NMR, 4, 1994
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2X69
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2X6G
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![BU of 2x6g by Molmil](/molmil-images/mine/2x6g) | |