8II3
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![BU of 8ii3 by Molmil](/molmil-images/mine/8ii3) | Crystal structure of V30M-TTR in complex with 6-hydroxy BID | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II1
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![BU of 8ii1 by Molmil](/molmil-images/mine/8ii1) | Crystal structure of V30M-TTR in complex with BID | Descriptor: | Benziodarone, Transthyretin | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II4
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![BU of 8ii4 by Molmil](/molmil-images/mine/8ii4) | Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II2
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![BU of 8ii2 by Molmil](/molmil-images/mine/8ii2) | Crystal structure of V30M-TTR in complex with BBM | Descriptor: | CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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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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7BXS
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![BU of 7bxs by Molmil](/molmil-images/mine/7bxs) | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator glycine binding form | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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7BXQ
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![BU of 7bxq by Molmil](/molmil-images/mine/7bxq) | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator L-Threonine binding form | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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7BXP
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![BU of 7bxp by Molmil](/molmil-images/mine/7bxp) | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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7BXR
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![BU of 7bxr by Molmil](/molmil-images/mine/7bxr) | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator 3-Hydroxynorvaline binding form | Descriptor: | (2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid, 2-amino-3-ketobutyrate coenzyme A ligase | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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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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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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6M1U
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![BU of 6m1u by Molmil](/molmil-images/mine/6m1u) | |
6AA4
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![BU of 6aa4 by Molmil](/molmil-images/mine/6aa4) | Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9) | Descriptor: | 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, ... | 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 (1.9 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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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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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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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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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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