4QRF
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![BU of 4qrf by Molmil](/molmil-images/mine/4qrf) | Crystal structure of V30M mutant human transthyretin complexed with caffeic acid phenethyl ester | Descriptor: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin J.Med.Chem., 57, 2014
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7FH2
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![BU of 7fh2 by Molmil](/molmil-images/mine/7fh2) | Crystal structure of the first bromodomain of BRD4 in complex with 16D10 | Descriptor: | Bromodomain-containing protein 4, CHLORIDE ION, N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide | Authors: | Yokoyama, T, Hirasawa, N. | Deposit date: | 2021-07-29 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | A chalcone derivative suppresses TSLP induction in mice and human keratinocytes through binding to BET family proteins. Biochem Pharmacol, 194, 2021
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6AA3
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![BU of 6aa3 by Molmil](/molmil-images/mine/6aa3) | Crystal structure of MTH1 in apo form (cocktail No. 1) | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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6AAR
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![BU of 6aar by Molmil](/molmil-images/mine/6aar) | Crystal structure of DAPK1 in complex with purpurin | Descriptor: | Death-associated protein kinase 1, Purpurin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2018-07-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones. Acta Crystallogr D Struct Biol, 76, 2020
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6AA5
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![BU of 6aa5 by Molmil](/molmil-images/mine/6aa5) | Crystal structure of MTH1 in complex with 3-isomangostin | Descriptor: | 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, ... | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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6AJV
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![BU of 6ajv by Molmil](/molmil-images/mine/6ajv) | Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJY
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![BU of 6ajy by Molmil](/molmil-images/mine/6ajy) | Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone | Descriptor: | 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJX
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![BU of 6ajx by Molmil](/molmil-images/mine/6ajx) | Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJZ
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![BU of 6ajz by Molmil](/molmil-images/mine/6ajz) | Joint nentron and X-ray structure of BRD4 in complex with colchicin | Descriptor: | 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 | Authors: | Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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4Y9B
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![BU of 4y9b by Molmil](/molmil-images/mine/4y9b) | Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9F
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![BU of 4y9f by Molmil](/molmil-images/mine/4y9f) | Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin | Descriptor: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9E
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![BU of 4y9e by Molmil](/molmil-images/mine/4y9e) | Crystal structure of V30M mutated transthyretin in complex with gamma-mangostin | Descriptor: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CHLORIDE ION, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9C
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![BU of 4y9c by Molmil](/molmil-images/mine/4y9c) | Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9G
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![BU of 4y9g by Molmil](/molmil-images/mine/4y9g) | Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin | Descriptor: | 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 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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6AJW
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![BU of 6ajw by Molmil](/molmil-images/mine/6ajw) | Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6IMX
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![BU of 6imx by Molmil](/molmil-images/mine/6imx) | Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
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6IN4
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![BU of 6in4 by Molmil](/molmil-images/mine/6in4) | Crystal structure of apo DAPK1 in the presence of 18-crown-6 | Descriptor: | Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6IMZ
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![BU of 6imz by Molmil](/molmil-images/mine/6imz) | Crystal structure of MTH1 in complex with 18-Crown-6 | Descriptor: | 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, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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5AUX
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![BU of 5aux by Molmil](/molmil-images/mine/5aux) | Crystal structure of DAPK1 in complex with kaempferol. | Descriptor: | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
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5AUT
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![BU of 5aut by Molmil](/molmil-images/mine/5aut) | Crystal structure of DAPK1 in complex with ANS. | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M, Kosaka, Y. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
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5AV0
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![BU of 5av0 by Molmil](/molmil-images/mine/5av0) | |
5AUV
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![BU of 5auv by Molmil](/molmil-images/mine/5auv) | Crystal structure of DAPK1 in complex with apigenin. | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, CHLORIDE ION, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
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5AV3
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![BU of 5av3 by Molmil](/molmil-images/mine/5av3) | |
6IN3
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![BU of 6in3 by Molmil](/molmil-images/mine/6in3) | Crystal structure of DOT1L in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6IN1
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![BU of 6in1 by Molmil](/molmil-images/mine/6in1) | Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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