7DV4
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![BU of 7dv4 by Molmil](/molmil-images/mine/7dv4) | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | 分子名称: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | 著者 | Li, H, Gan, X, He, Y. | 登録日 | 2021-01-12 | 公開日 | 2022-01-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
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3UE8
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![BU of 3ue8 by Molmil](/molmil-images/mine/3ue8) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | 著者 | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | 登録日 | 2011-10-28 | 公開日 | 2012-02-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS Med Chem Lett, 3, 2012
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6BNY
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![BU of 6bny by Molmil](/molmil-images/mine/6bny) | TBK1 in complex with tetrazole analog of amlexanox | 分子名称: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-17 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.341 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BOE
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![BU of 6boe by Molmil](/molmil-images/mine/6boe) | TBK1 in complex with amide-coupled tetrazole analog of amlexanox | 分子名称: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-19 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BOD
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![BU of 6bod by Molmil](/molmil-images/mine/6bod) | TBK1 in complex with ethyl ester analog of amlexanox | 分子名称: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-19 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.197 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6CQ5
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![BU of 6cq5 by Molmil](/molmil-images/mine/6cq5) | TBK1 in Complex with Sulfone Analog of Amlexanox | 分子名称: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.354 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CQ4
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![BU of 6cq4 by Molmil](/molmil-images/mine/6cq4) | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | 分子名称: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CQ0
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![BU of 6cq0 by Molmil](/molmil-images/mine/6cq0) | TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | 分子名称: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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5W5V
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![BU of 5w5v by Molmil](/molmil-images/mine/5w5v) | TBK1 co-crystal structure with amlexanox | 分子名称: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-06-15 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.645 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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4GEB
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![BU of 4geb by Molmil](/molmil-images/mine/4geb) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, ... | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency. Bioorg.Med.Chem.Lett., 23, 2013
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4GE7
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![BU of 4ge7 by Molmil](/molmil-images/mine/4ge7) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GE4
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![BU of 4ge4 by Molmil](/molmil-images/mine/4ge4) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GE9
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![BU of 4ge9 by Molmil](/molmil-images/mine/4ge9) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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8HLS
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![BU of 8hls by Molmil](/molmil-images/mine/8hls) | |