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8W44
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BU of 8w44 by Molmil
X-ray crystal structure of V30M-TTR in complex with oxyresveratrol
分子名称: SODIUM ION, Transthyretin, trans-oxyresveratrol
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W46
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BU of 8w46 by Molmil
X-ray crystal structure of V30M-TTR in complex with pterostilbene
分子名称: Pterostilbene, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W48
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BU of 8w48 by Molmil
Neutron and X-ray joint structure of WT-TTR in complex with piceatannol
分子名称: PICEATANNOL, Transthyretin
著者Yokoyama, T, Kusaka, K, Fujiwara, S.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法NEUTRON DIFFRACTION (1.19 Å), X-RAY DIFFRACTION
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W43
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BU of 8w43 by Molmil
X-ray crystal structure of V30M-TTR in complex with piceatannol
分子名称: PICEATANNOL, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W45
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BU of 8w45 by Molmil
X-ray crystal structure of V30M-TTR in complex with pinostilbene
分子名称: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W47
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BU of 8w47 by Molmil
X-ray crystal structure of V30M-TTR in complex with isorhapontigenin
分子名称: 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8IG1
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BU of 8ig1 by Molmil
Crystal structure of wild-type transthyretin in complex with rafoxanide
分子名称: SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
著者Yokoyama, T.
登録日2023-02-20
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin.
Febs J., 290, 2023
4Y9B
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BU of 4y9b by Molmil
Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CALCIUM ION, CHLORIDE ION, ...
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9F
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Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin
分子名称: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9E
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BU of 4y9e by Molmil
Crystal structure of V30M mutated transthyretin in complex with gamma-mangostin
分子名称: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CHLORIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9C
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BU of 4y9c by Molmil
Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9G
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BU of 4y9g by Molmil
Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin
分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
6AA4
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BU of 6aa4 by Molmil
Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9)
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA3
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BU of 6aa3 by Molmil
Crystal structure of MTH1 in apo form (cocktail No. 1)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AAR
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BU of 6aar by Molmil
Crystal structure of DAPK1 in complex with purpurin
分子名称: Death-associated protein kinase 1, Purpurin
著者Yokoyama, T, Mizuguchi, M.
登録日2018-07-19
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
6AJV
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BU of 6ajv by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
分子名称: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
登録日2018-08-28
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AA5
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BU of 6aa5 by Molmil
Crystal structure of MTH1 in complex with 3-isomangostin
分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AJX
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BU of 6ajx by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO
分子名称: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION
著者Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
登録日2018-08-28
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJY
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BU of 6ajy by Molmil
Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone
分子名称: 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION
著者Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
登録日2018-08-28
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJZ
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BU of 6ajz by Molmil
Joint nentron and X-ray structure of BRD4 in complex with colchicin
分子名称: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION
著者Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M.
登録日2018-08-28
公開日2019-06-12
最終更新日2024-03-27
実験手法NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION
主引用文献Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJW
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BU of 6ajw by Molmil
Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4)
分子名称: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION
著者Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
登録日2018-08-28
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6IMZ
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BU of 6imz by Molmil
Crystal structure of MTH1 in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ...
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
6IMX
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Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
J. Med. Chem., 62, 2019
6IN4
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BU of 6in4 by Molmil
Crystal structure of apo DAPK1 in the presence of 18-crown-6
分子名称: Death-associated protein kinase 1, SULFATE ION
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
6IN3
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BU of 6in3 by Molmil
Crystal structure of DOT1L in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published

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件を2024-07-10に公開中

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