4YSX
 
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with the specific inhibitor NN23 | | 分子名称: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-03-17 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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6JKT
 | | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA). | | 分子名称: | Aspartate carbamoyltransferase, GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | | 著者 | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | | 登録日 | 2019-03-01 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism
To Be Published
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6JKQ
 | | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi (Ligand-free form) | | 分子名称: | Aspartate carbamoyltransferase | | 著者 | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | | 登録日 | 2019-03-01 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism
To Be Published
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1Y1P
 | | X-ray structure of aldehyde reductase with NADPH | | 分子名称: | ACETATE ION, ADENOSINE MONOPHOSPHATE, Aldehyde reductase II, ... | | 著者 | Kamitori, S, Kita, K. | | 登録日 | 2004-11-19 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray Structures of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor Provide Insights into Stereoselective Reductions of Carbonyl Compounds
J.Mol.Biol., 352, 2005
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1ZZE
 | | X-ray Structure of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor | | 分子名称: | Aldehyde reductase II, SULFATE ION | | 著者 | Kamitori, S, Iguchi, A, Ohtaki, A, Yamada, M, Kita, K. | | 登録日 | 2005-06-14 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray Structures of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor Provide Insights into Stereoselective Reductions of Carbonyl Compounds
J.Mol.Biol., 352, 2005
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6J9V
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase | | 著者 | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | 登録日 | 2019-01-24 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
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5AZI
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP | | 分子名称: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase | | 著者 | Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K. | | 登録日 | 2015-10-08 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
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5AZJ
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP (with disulfide bridge) | | 分子名称: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase | | 著者 | Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K. | | 登録日 | 2015-10-08 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
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5C3J
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with Ubiquinone-1 | | 分子名称: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-06-17 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
To Be Published
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5EA9
 | | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... | | 著者 | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | | 登録日 | 2015-10-15 | | 公開日 | 2016-10-19 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
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8I3Y
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA. | | 分子名称: | CALCIUM ION, SUCCINIC ACID, SUCCINYL-COENZYME A, ... | | 著者 | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | 登録日 | 2023-01-18 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
To Be Published
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5C2T
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with rhodoquinone-2 | | 分子名称: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-06-16 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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8I40
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with CoA. | | 分子名称: | ACETATE ION, CALCIUM ION, COENZYME A, ... | | 著者 | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | 登録日 | 2023-01-18 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT.
To Be Published
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6IDJ
 | | Crystal structure of human DHODH in complex with ferulenol | | 分子名称: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | | 登録日 | 2018-09-10 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
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6J9Q
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP. | | 分子名称: | GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | 登録日 | 2019-01-24 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
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5YJX
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with myxothiazol. | | 分子名称: | (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | | 登録日 | 2017-10-11 | | 公開日 | 2018-02-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
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5YJY
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with AC0-12. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | | 登録日 | 2017-10-11 | | 公開日 | 2018-02-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
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5YJW
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with the competitive inhibitor, stigmatellin. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | | 登録日 | 2017-10-11 | | 公開日 | 2018-02-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
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5E93
 | | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | | 著者 | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | | 登録日 | 2015-10-14 | | 公開日 | 2016-10-19 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
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7E3N
 | | Crystal structure of Isocitrate dehydrogenase D252N mutant from Trypanosoma brucei in complexed with NADP+, alpha-ketoglutarate, and ca2+ | | 分子名称: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ... | | 著者 | Arai, N, Shiba, T, Inaoka, D.K, Kita, K, Wang, X, Otani, M, Matsushiro, S, Kojima, C. | | 登録日 | 2021-02-09 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of Isocitrate dehydrogenase from Trypanosoma brucei.
To Be Published
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2E6D
 | | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with fumarate | | 分子名称: | COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | | 登録日 | 2006-12-26 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structures of Trypanosoma cruzi dihydroorotate dehydrogenase complexed with substrates and products: atomic resolution insights into mechanisms of dihydroorotate oxidation and fumarate reduction
Biochemistry, 47, 2008
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5ZFB
 | | Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | | 分子名称: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | 登録日 | 2018-03-02 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZDP
 | | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol | | 分子名称: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Alternative oxidase, mitochondrial, ... | | 著者 | Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. | | 登録日 | 2018-02-23 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
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5ZF4
 | | Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe | | 分子名称: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | 登録日 | 2018-03-02 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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5ZFA
 | | Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr | | 分子名称: | (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | 登録日 | 2018-03-02 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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