8IG1
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![BU of 8ig1 by Molmil](/molmil-images/mine/8ig1) | Crystal structure of wild-type transthyretin in complex with rafoxanide | Descriptor: | SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide | Authors: | Yokoyama, T. | Deposit date: | 2023-02-20 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin. Febs J., 290, 2023
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8IE6
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![BU of 8ie6 by Molmil](/molmil-images/mine/8ie6) | Crystal structure of DAPK1 in complex with pinostilbene | Descriptor: | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1. Febs J., 290, 2023
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8IE5
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![BU of 8ie5 by Molmil](/molmil-images/mine/8ie5) | Crystal structure of DAPK1 in complex with oxyresveratrol | Descriptor: | Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol | Authors: | Yokoyama, T. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1. Febs J., 290, 2023
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8IE8
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![BU of 8ie8 by Molmil](/molmil-images/mine/8ie8) | Crystal structure of DAPK1 in complex with isorhapontigenin | Descriptor: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1. Febs J., 290, 2023
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8IE7
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![BU of 8ie7 by Molmil](/molmil-images/mine/8ie7) | Crystal structure of DAPK1 in complex with pterostilbene | Descriptor: | Death-associated protein kinase 1, Pterostilbene, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1. Febs J., 290, 2023
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7CCU
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![BU of 7ccu by Molmil](/molmil-images/mine/7ccu) | |
7CCV
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![BU of 7ccv by Molmil](/molmil-images/mine/7ccv) | |
7CCW
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![BU of 7ccw by Molmil](/molmil-images/mine/7ccw) | Crystal structure of death-associated protein kinase 1 in complex with resveratrol and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Death-associated protein kinase 1, RESVERATROL, ... | Authors: | Yokoyama, T, Suzuki, R, Mizuguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol. Iucrj, 8, 2020
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4PWF
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![BU of 4pwf by Molmil](/molmil-images/mine/4pwf) | Crystal structure of V30M mutant human transthyretin complexed with ferulic acid phenethyl ester | Descriptor: | 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 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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4PWH
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![BU of 4pwh by Molmil](/molmil-images/mine/4pwh) | Crystal structure of V30M mutant human transthyretin complexed with caffeic acid 1,1-dimethylallyl ester | Descriptor: | 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, CALCIUM ION, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.798 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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4PWI
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![BU of 4pwi by Molmil](/molmil-images/mine/4pwi) | Crystal structure of V30M mutant human transthyretin complexed with rosmarinic acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.494 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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4PWE
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![BU of 4pwe by Molmil](/molmil-images/mine/4pwe) | |
4PWJ
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![BU of 4pwj by Molmil](/molmil-images/mine/4pwj) | Crystal structure of V30M mutant human transthyretin complexed with nordihydroguaiaretic acid | Descriptor: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 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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4PWG
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![BU of 4pwg by Molmil](/molmil-images/mine/4pwg) | Crystal structure of V30M mutant human transthyretin complexed with caffeic acid ethyl ester | Descriptor: | CALCIUM ION, Transthyretin, ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.798 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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4PWK
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![BU of 4pwk by Molmil](/molmil-images/mine/4pwk) | Crystal structure of V30M mutant human transthyretin complexed with dihydroguaiaretic acid | Descriptor: | 4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol), Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 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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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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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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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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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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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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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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4N85
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![BU of 4n85 by Molmil](/molmil-images/mine/4n85) | |
4N86
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![BU of 4n86 by Molmil](/molmil-images/mine/4n86) | Crystal structure of human transthyretin complexed with glabridin | Descriptor: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CALCIUM ION, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structures of human transthyretin complexed with glabridin J.Med.Chem., 57, 2014
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4N87
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![BU of 4n87 by Molmil](/molmil-images/mine/4n87) | Crystal structure of V30M mutant human transthyretin complexed with glabridin | Descriptor: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Crystal structures of human transthyretin complexed with glabridin J.Med.Chem., 57, 2014
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