5X2L
| Crystal Structure of Human Serine Racemase | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | Authors: | Obita, T, Matsumoto, K, Mori, H, Toyooka, N, Mizuguchi, M. | Deposit date: | 2017-02-01 | Release date: | 2018-01-31 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.806 Å) | Cite: | Design, synthesis, and evaluation of novel inhibitors for wild-type human serine racemase. Bioorg. Med. Chem. Lett., 2017
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7C7F
| Crystal structures of AKR1C3 binary complex with NADP+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Irie, K, Toyooka, N, Endo, S. | Deposit date: | 2020-05-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J.Med.Chem., 63, 2020
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7C7G
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7C7H
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7W9Q
| Crystal structure of V30M-TTR in complex with naringenin derivative-14 | Descriptor: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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7W9R
| Crystal structure of V30M-TTR in complex with naringenin derivative-18 | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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8WGS
| Crystal structure of V30M-TTR in complex with compound 4 | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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8WGU
| Crystal structure of V30M-TTR in complex with compound 20 | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.508 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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9INV
| Crystal structure of DAPK1 in complex with isoliquiritigenin | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2024-07-08 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor. Eur.J.Med.Chem., 279, 2024
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8WGT
| Crystal structure of V30M-TTR in complex with compound 7 | Descriptor: | Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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9INX
| Crystal structure of DAPK1 in complex with compound 10 | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2024-07-08 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor. Eur.J.Med.Chem., 279, 2024
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9INW
| Crystal structure of DAPK1 in complex with compound 9 | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2024-07-08 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor. Eur.J.Med.Chem., 279, 2024
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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
| 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
| 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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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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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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7DT3
| Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | Descriptor: | 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, CALCIUM ION, Transthyretin | Authors: | Kitakami, R, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-01-04 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis. Bioorg.Med.Chem., 44, 2021
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7DT5
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7DT6
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7DT8
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7EJR
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7EJQ
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