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4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
5GN6
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BU of 5gn6 by Molmil
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b
Descriptor: 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN7
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BU of 5gn7 by Molmil
Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17
Descriptor: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, Alternative oxidase, mitochondrial, ...
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN9
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BU of 5gn9 by Molmil
Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17b
Descriptor: 4-butyl-7,8-bis(oxidanyl)chromen-2-one, Alternative oxidase, mitochondrial, ...
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN5
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BU of 5gn5 by Molmil
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17
Descriptor: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
5ZDP
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BU of 5zdp by Molmil
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
5ZDQ
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BU of 5zdq by Molmil
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
5ZDR
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BU of 5zdr by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative
Descriptor: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-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 (2.59 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
3VVA
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BU of 3vva by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative
Descriptor: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ...
Authors:Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, 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:2012-07-17
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of the trypanosome cyanide-insensitive alternative oxidase
Proc.Natl.Acad.Sci.USA, 110, 2013
3VV9
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BU of 3vv9 by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei
Descriptor: Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, 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:2012-07-17
Release date:2013-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the trypanosome cyanide-insensitive alternative oxidase
Proc.Natl.Acad.Sci.USA, 110, 2013
3W54
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BU of 3w54 by Molmil
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
5ZFB
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BU of 5zfb by Molmil
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
5ZF4
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BU of 5zf4 by Molmil
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
5ZFA
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BU of 5zfa by Molmil
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
5ZF8
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BU of 5zf8 by Molmil
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
5ZF7
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BU of 5zf7 by Molmil
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
5ZF9
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BU of 5zf9 by Molmil
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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