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5AV3
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BU of 5av3 by Molmil
Crystal structure of DAPK1-kaempferol complex in the presence of iodide ions.
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Death-associated protein kinase 1, IODIDE ION
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5CG6
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BU of 5cg6 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
登録日2015-07-09
公開日2015-10-14
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
7X7I
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BU of 7x7i by Molmil
Ancestral L-Lys oxidase (AncLLysO-2) ligand free form
分子名称: FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE
著者Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S.
登録日2022-03-09
公開日2023-01-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis
Acs Omega, 7, 2022
7X7J
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BU of 7x7j by Molmil
Ancestral L-Lys oxidase (AncLLysO-2) L-Lys binding form
分子名称: FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE
著者Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S.
登録日2022-03-09
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis
Acs Omega, 7, 2022
8IG1
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BU of 8ig1 by Molmil
Crystal structure of wild-type transthyretin in complex with rafoxanide
分子名称: SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
著者Yokoyama, T.
登録日2023-02-20
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin.
Febs J., 290, 2023
7X7K
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BU of 7x7k by Molmil
Ancestral L-Lys oxidase (AncLLysO-2) L-Arg binding form
分子名称: ARGININE, FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE
著者Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S.
登録日2022-03-09
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis
Acs Omega, 7, 2022
4Y9E
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BU of 4y9e by Molmil
Crystal structure of V30M mutated transthyretin in complex with gamma-mangostin
分子名称: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CHLORIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9B
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BU of 4y9b by Molmil
Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CALCIUM ION, CHLORIDE ION, ...
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9F
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BU of 4y9f by Molmil
Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin
分子名称: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9C
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BU of 4y9c by Molmil
Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9G
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BU of 4y9g by Molmil
Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin
分子名称: 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
著者Yokoyama, T, Mizuguchi, M.
登録日2015-02-17
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
5AV1
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BU of 5av1 by Molmil
Crystal structure of DAPK1 in the presence of bromide ions.
分子名称: BROMIDE ION, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUU
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BU of 5auu by Molmil
Crystal structure of DAPK1 in complex with luteolin.
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUY
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BU of 5auy by Molmil
Crystal structure of DAPK1 in complex with morin.
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUZ
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BU of 5auz by Molmil
Crystal structure of DAPK1 in complex with genistein.
分子名称: Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUW
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BU of 5auw by Molmil
Crystal structure of DAPK1 in complex with quercetin.
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV4
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BU of 5av4 by Molmil
Crystal structure of DAPK1-genistein complex in the presence of bromide ions.
分子名称: BROMIDE ION, Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV2
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BU of 5av2 by Molmil
Crystal structure of DAPK1-kaempferol complex in the presence of bromide ions.
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, BROMIDE ION, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
6M1U
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BU of 6m1u by Molmil
Crystal structure of the vertebrate conserved region (VCR) of human METTL16
分子名称: RNA N6-adenosine-methyltransferase METTL16,RNA N6-adenosine-methyltransferase METTL16
著者Aoyama, T, Yamashita, S, Tomita, K.
登録日2020-02-26
公開日2020-04-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.791 Å)
主引用文献Mechanistic insights into m6A modification of U6 snRNA by human METTL16.
Nucleic Acids Res., 48, 2020
5Y1G
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BU of 5y1g by Molmil
Monomeric L-threonine 3-dehydrogenase from metagenome database (AKB and NADH bound form)
分子名称: 2-AMINO-3-KETOBUTYRIC ACID, NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S.
登録日2017-07-20
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
Biochemistry, 56, 2017
5Y1E
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BU of 5y1e by Molmil
monomeric L-threonine 3-dehydrogenase from metagenome database (L-Ser and NAD+ bound form)
分子名称: NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SERINE
著者Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S.
登録日2017-07-20
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
Biochemistry, 56, 2017
5Y1D
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BU of 5y1d by Molmil
Monomeric L-threonine 3-dehydrogenase from metagenome database (apo form)
分子名称: NAD dependent epimerase/dehydratase family
著者Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S.
登録日2017-07-20
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
Biochemistry, 56, 2017
6AA4
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BU of 6aa4 by Molmil
Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9)
分子名称: 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, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA3
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BU of 6aa3 by Molmil
Crystal structure of MTH1 in apo form (cocktail No. 1)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA5
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BU of 6aa5 by Molmil
Crystal structure of MTH1 in complex with 3-isomangostin
分子名称: 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, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019

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