6IMY
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![BU of 6imy by Molmil](/molmil-images/mine/6imy) | Crystal structure of V30M mutated transthyretin in complex with 4'-caroboxybenzo-18-Crown-6 | Descriptor: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid, 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 (1.501 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
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6IN2
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![BU of 6in2 by Molmil](/molmil-images/mine/6in2) | Crystal structure of BRD1 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1 | 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 (1.75 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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5CG5
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![BU of 5cg5 by Molmil](/molmil-images/mine/5cg5) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | Deposit date: | 2015-07-09 | Release date: | 2015-10-14 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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5CG6
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![BU of 5cg6 by Molmil](/molmil-images/mine/5cg6) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | Deposit date: | 2015-07-09 | Release date: | 2015-10-14 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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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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6IN0
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![BU of 6in0 by Molmil](/molmil-images/mine/6in0) | Crystal structure of EphA3 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, Ephrin type-A receptor 3 | 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 (1.501 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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5AV1
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![BU of 5av1 by Molmil](/molmil-images/mine/5av1) | |
5AUU
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![BU of 5auu by Molmil](/molmil-images/mine/5auu) | Crystal structure of DAPK1 in complex with luteolin. | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, 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 (1.7 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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5AUY
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![BU of 5auy by Molmil](/molmil-images/mine/5auy) | Crystal structure of DAPK1 in complex with morin. | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, 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 (2 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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5AUZ
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![BU of 5auz by Molmil](/molmil-images/mine/5auz) | |
5AV4
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![BU of 5av4 by Molmil](/molmil-images/mine/5av4) | |
5AV2
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![BU of 5av2 by Molmil](/molmil-images/mine/5av2) | |
5AUW
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![BU of 5auw by Molmil](/molmil-images/mine/5auw) | Crystal structure of DAPK1 in complex with quercetin. | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 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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1V4X
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![BU of 1v4x by Molmil](/molmil-images/mine/1v4x) | Crystal structure of bluefin tuna hemoglobin deoxy form at pH5.0 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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1V4U
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![BU of 1v4u by Molmil](/molmil-images/mine/1v4u) | Crystal structure of bluefin tuna carbonmonoxy-hemoglobin | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, ... | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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1V4W
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![BU of 1v4w by Molmil](/molmil-images/mine/1v4w) | Crystal structure of bluefin tuna hemoglobin deoxy form at pH7.5 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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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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7ERK
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![BU of 7erk by Molmil](/molmil-images/mine/7erk) | Crystal structure of V30M-TTR in complex with dasatinib | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Transthyretin | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | Deposit date: | 2021-05-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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7ERH
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![BU of 7erh by Molmil](/molmil-images/mine/7erh) | Crystal structure of WT-TTR in complex with bithionol | Descriptor: | 2,2'-sulfanediylbis(4,6-dichlorophenol), CALCIUM ION, Transthyretin | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | Deposit date: | 2021-05-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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7ERJ
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7ERI
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7F4Z
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![BU of 7f4z by Molmil](/molmil-images/mine/7f4z) | X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ... | Authors: | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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