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6IN0
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BU of 6in0 by Molmil
Crystal structure of EphA3 in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, Ephrin type-A receptor 3
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 (1.501 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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
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
7ERK
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BU of 7erk by Molmil
Crystal structure of V30M-TTR in complex with dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Transthyretin
著者Yokoyama, T, Kashihara, M, Mizuguchi, M.
登録日2021-05-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
7ERH
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BU of 7erh by Molmil
Crystal structure of WT-TTR in complex with bithionol
分子名称: 2,2'-sulfanediylbis(4,6-dichlorophenol), CALCIUM ION, Transthyretin
著者Yokoyama, T, Kashihara, M, Mizuguchi, M.
登録日2021-05-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
7ERI
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BU of 7eri by Molmil
Crystal structure of V30M-TTR in complex with triclabendazole
分子名称: 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole, Transthyretin
著者Yokoyama, T, Kashihara, M, Mizuguchi, M.
登録日2021-05-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
7ERJ
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BU of 7erj by Molmil
Crystal structure of V30M-TTR in complex with dichlorophen
分子名称: 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol, CALCIUM ION, Transthyretin
著者Yokoyama, T, Kashihara, M, Mizuguchi, M.
登録日2021-05-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
7CCV
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BU of 7ccv by Molmil
Crystal structure of death-associated protein kinase 1 in complex with piceatannol
分子名称: Death-associated protein kinase 1, PICEATANNOL, SULFATE ION
著者Yokoyama, T, Suzuki, R, Mizuguchi, M.
登録日2020-06-18
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
7CCW
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BU of 7ccw by Molmil
Crystal structure of death-associated protein kinase 1 in complex with resveratrol and MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Death-associated protein kinase 1, RESVERATROL, ...
著者Yokoyama, T, Suzuki, R, Mizuguchi, M.
登録日2020-06-18
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
7F4Z
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BU of 7f4z by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ...
著者Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F50
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BU of 7f50 by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP
分子名称: CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
著者Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F4X
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BU of 7f4x by Molmil
Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
著者Yokoyama, T, Ostermann, A, Schrader, T.E.
登録日2021-06-21
公開日2022-06-29
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
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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BU of 4y9f by Molmil
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
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
5AUZ
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BU of 5auz by Molmil
Crystal structure of DAPK1 in complex with genistein.
分子名称: Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUW
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BU of 5auw by Molmil
Crystal structure of DAPK1 in complex with quercetin.
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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
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
5AV4
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BU of 5av4 by Molmil
Crystal structure of DAPK1-genistein complex in the presence of bromide ions.
分子名称: BROMIDE ION, Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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
5AV1
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BU of 5av1 by Molmil
Crystal structure of DAPK1 in the presence of bromide ions.
分子名称: BROMIDE ION, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015

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