6AJ8
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![BU of 6aj8 by Molmil](/molmil-images/mine/6aj8) | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+ | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | Deposit date: | 2018-08-27 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+) To Be Published
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1UJM
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![BU of 1ujm by Molmil](/molmil-images/mine/1ujm) | |
5YJX
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![BU of 5yjx by Molmil](/molmil-images/mine/5yjx) | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with myxothiazol. | Descriptor: | (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, ... | Authors: | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | Deposit date: | 2017-10-11 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | 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
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![BU of 5yjy by Molmil](/molmil-images/mine/5yjy) | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with AC0-12. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | Deposit date: | 2017-10-11 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | 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
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![BU of 5yjw by Molmil](/molmil-images/mine/5yjw) | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with the competitive inhibitor, stigmatellin. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K. | Deposit date: | 2017-10-11 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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7E3N
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![BU of 7e3n by Molmil](/molmil-images/mine/7e3n) | Crystal structure of Isocitrate dehydrogenase D252N mutant from Trypanosoma brucei in complexed with NADP+, alpha-ketoglutarate, and ca2+ | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ... | Authors: | Arai, N, Shiba, T, Inaoka, D.K, Kita, K, Wang, X, Otani, M, Matsushiro, S, Kojima, C. | Deposit date: | 2021-02-09 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Isocitrate dehydrogenase from Trypanosoma brucei. To Be Published
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5E93
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![BU of 5e93 by Molmil](/molmil-images/mine/5e93) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-14 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | 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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6JKT
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![BU of 6jkt by Molmil](/molmil-images/mine/6jkt) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA). | Descriptor: | Aspartate carbamoyltransferase, GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | Authors: | 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. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JKQ
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![BU of 6jkq by Molmil](/molmil-images/mine/6jkq) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi (Ligand-free form) | Descriptor: | Aspartate carbamoyltransferase | Authors: | 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. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JL6
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![BU of 6jl6 by Molmil](/molmil-images/mine/6jl6) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with phosphate (Pi). | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, PHOSPHATE ION | Authors: | 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. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JKR
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![BU of 6jkr by Molmil](/molmil-images/mine/6jkr) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) | Descriptor: | Aspartate carbamoyltransferase, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | Authors: | 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. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JL4
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![BU of 6jl4 by Molmil](/molmil-images/mine/6jl4) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl aspartate (CA) and phosphate (Pi) | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, N-CARBAMOYL-L-ASPARTATE, ... | Authors: | 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. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JKS
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![BU of 6jks by Molmil](/molmil-images/mine/6jks) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) and aspartate (Asp) | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, putative, ... | Authors: | 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. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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6JL5
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![BU of 6jl5 by Molmil](/molmil-images/mine/6jl5) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with aspartate (Asp) and phosphate (Pi). | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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1WTE
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![BU of 1wte by Molmil](/molmil-images/mine/1wte) | Crystal structure of type II restrcition endonuclease, EcoO109I complexed with cognate DNA | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*GP*CP*CP*CP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*GP*GP*GP*CP*CP*CP*GP*GP*T)-3', EcoO109IR, ... | Authors: | Hashimoto, H, Shimizu, T, Imasaki, T, Kato, M, Shichijo, N, Kita, K, Sato, M. | Deposit date: | 2004-11-22 | Release date: | 2004-12-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of type II restriction endonuclease EcoO109I and its complex with cognate DNA J.Biol.Chem., 280, 2005
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1WTD
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![BU of 1wtd by Molmil](/molmil-images/mine/1wtd) | Crystal structure of type II restrcition endonuclease, EcoO109I DNA-free form | Descriptor: | EcoO109IR, GLYCEROL | Authors: | Hashimoto, H, Shimizu, T, Imasaki, T, Kato, M, Shichijo, N, Kita, K, Sato, M. | Deposit date: | 2004-11-22 | Release date: | 2004-12-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structures of type II restriction endonuclease EcoO109I and its complex with cognate DNA J.Biol.Chem., 280, 2005
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1Y1P
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![BU of 1y1p by Molmil](/molmil-images/mine/1y1p) | X-ray structure of aldehyde reductase with NADPH | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, Aldehyde reductase II, ... | Authors: | Kamitori, S, Kita, K. | Deposit date: | 2004-11-19 | Release date: | 2005-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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![BU of 1zze by Molmil](/molmil-images/mine/1zze) | X-ray Structure of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor | Descriptor: | Aldehyde reductase II, SULFATE ION | Authors: | Kamitori, S, Iguchi, A, Ohtaki, A, Yamada, M, Kita, K. | Deposit date: | 2005-06-14 | Release date: | 2005-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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5ZFB
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![BU of 5zfb by Molmil](/molmil-images/mine/5zfb) | Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | Descriptor: | 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), ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 5zdp by Molmil](/molmil-images/mine/5zdp) | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Alternative oxidase, mitochondrial, ... | Authors: | 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. | Deposit date: | 2018-02-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | 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
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![BU of 5zf4 by Molmil](/molmil-images/mine/5zf4) | Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | 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
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![BU of 5zfa by Molmil](/molmil-images/mine/5zfa) | Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr | Descriptor: | (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), ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
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5ZF8
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![BU of 5zf8 by Molmil](/molmil-images/mine/5zf8) | Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc | Descriptor: | (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
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5ZF7
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![BU of 5zf7 by Molmil](/molmil-images/mine/5zf7) | Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
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5ZDQ
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![BU of 5zdq by Molmil](/molmil-images/mine/5zdq) | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with COLLETOCHLORIN B | Descriptor: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ... | Authors: | 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. | Deposit date: | 2018-02-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019
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