5AV3
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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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7X7I
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![BU of 7x7i by Molmil](/molmil-images/mine/7x7i) | Ancestral L-Lys oxidase (AncLLysO-2) ligand free form | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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7X7J
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![BU of 7x7j by Molmil](/molmil-images/mine/7x7j) | Ancestral L-Lys oxidase (AncLLysO-2) L-Lys binding form | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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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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7X7K
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![BU of 7x7k by Molmil](/molmil-images/mine/7x7k) | Ancestral L-Lys oxidase (AncLLysO-2) L-Arg binding form | Descriptor: | ARGININE, FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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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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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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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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5AV1
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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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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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5AV4
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5AV2
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6M1U
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5Y1G
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![BU of 5y1g by Molmil](/molmil-images/mine/5y1g) | Monomeric L-threonine 3-dehydrogenase from metagenome database (AKB and NADH bound form) | Descriptor: | 2-AMINO-3-KETOBUTYRIC ACID, NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S. | Deposit date: | 2017-07-20 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase. Biochemistry, 56, 2017
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5Y1E
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![BU of 5y1e by Molmil](/molmil-images/mine/5y1e) | monomeric L-threonine 3-dehydrogenase from metagenome database (L-Ser and NAD+ bound form) | Descriptor: | NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SERINE | Authors: | Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S. | Deposit date: | 2017-07-20 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase. Biochemistry, 56, 2017
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5Y1D
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![BU of 5y1d by Molmil](/molmil-images/mine/5y1d) | Monomeric L-threonine 3-dehydrogenase from metagenome database (apo form) | Descriptor: | NAD dependent epimerase/dehydratase family | Authors: | Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S. | Deposit date: | 2017-07-20 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase. Biochemistry, 56, 2017
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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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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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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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