3W54
| 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, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, Takahashi, G, Balogun, E.O, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Saimoto, H, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2013-01-21 | Release date: | 2013-03-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the trypanosome cyanide-insensitive alternative oxidase Proc.Natl.Acad.Sci.USA, 110, 2013
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3WXK
| Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol | Descriptor: | GLYCEROL, Glycerol kinase, HEXANE-1,6-DIOL | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | Deposit date: | 2014-08-01 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase. Mol.Microbiol., 94, 2014
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3WXI
| Crystal structure of trypanosoma brucei gambiense glycerol kinase (ligand-free form) | Descriptor: | Glycerol kinase | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, T, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | Deposit date: | 2014-08-01 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase. Mol.Microbiol., 94, 2014
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3WXL
| Crystal structure of trypanosoma brucei gambiense glycerol kinase complex with adp, mg2+, and glycerol | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase, ... | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | Deposit date: | 2014-08-01 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase. Mol.Microbiol., 94, 2014
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3WXJ
| Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol 3-phosphate | Descriptor: | GLYCEROL, Glycerol kinase, SN-GLYCEROL-3-PHOSPHATE | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | Deposit date: | 2014-08-01 | Release date: | 2014-12-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase. Mol.Microbiol., 94, 2014
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3AJV
| Splicing endonuclease from Aeropyrum pernix | Descriptor: | CHLORIDE ION, GLYCEROL, Putative uncharacterized protein, ... | Authors: | Yoshinari, S, Watanabe, Y, Okuda, M, Shiba, T, Inaoka, K.D, Kurisu, G. | Deposit date: | 2010-06-19 | Release date: | 2010-11-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Conserved Lysine Residue in the Crenarchaea-Specific Loop is Important for the Crenarchaeal Splicing Endonuclease Activity. J.Mol.Biol., 405, 2011
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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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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
| 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
| 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
| 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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5ZF9
| Structure of human dihydroorotate dehydrogenase in complex with 280-12 | Descriptor: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, 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 (1.77 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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5B1S
| Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine | Descriptor: | 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease Sci Rep, 7, 2017
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5Y4Q
| Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-(4-methoxyphenyl)quinolin-4-amine, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2017-08-04 | Release date: | 2018-08-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography. Acs Omega, 8, 2023
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5Y4P
| Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2017-08-04 | Release date: | 2018-08-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography. Acs Omega, 8, 2023
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6JAF
| Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with PPi (pyrophosphatase reaction) | Descriptor: | GLYCEROL, Glycerol kinase, PYROPHOSPHATE 2- | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | Deposit date: | 2019-01-24 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity. To Be Published
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6J9X
| Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at Thr12(pyrophosphatase reaction) | Descriptor: | GLYCEROL, Glycerol kinase | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | Deposit date: | 2019-01-24 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity. To Be Published
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6JAE
| Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction) | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHATE ION | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | Deposit date: | 2019-01-24 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity. To Be Published
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