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6JT4
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BU of 6jt4 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
7XZS
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BU of 7xzs by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-tyrosine
Descriptor: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7XZT
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BU of 7xzt by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
Descriptor: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7XZW
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BU of 7xzw by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-phenylalanine
Descriptor: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7XZU
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BU of 7xzu by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-phenylalanine
Descriptor: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y02
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BU of 7y02 by Molmil
Crystal structure of Ricin A chain bound with (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-(4-fluorophenyl)propanoic acid
Descriptor: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y05
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BU of 7y05 by Molmil
Crystal structure of Ricin A chain bound with (R)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Descriptor: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y06
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BU of 7y06 by Molmil
Crystal structure of Ricin A chain bound with (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid
Descriptor: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y03
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BU of 7y03 by Molmil
Crystal structure of Ricin A chain bound with (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Descriptor: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y07
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BU of 7y07 by Molmil
Crystal structure of Ricin A chain bound with (S)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-oxo-3,4-dihydropteridine-7-carboxamide
Descriptor: 2-azanyl-4-oxidanylidene-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3H-pteridine-7-carboxamide, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y08
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BU of 7y08 by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-phenylalanine
Descriptor: N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine, Ricin A chain, SULFATE ION
Authors:Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
3W75
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BU of 3w75 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149
Descriptor: 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149
To be Published
3W7J
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BU of 3w7j by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040
Descriptor: 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040
To be Published
3W7M
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BU of 3w7m by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-063
Descriptor: 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-02
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-063
To be Published
3W71
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BU of 3w71 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097
Descriptor: 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097
To be Published
3W7G
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BU of 3w7g by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-013
Descriptor: 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-013
To be Published
3W87
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BU of 3w87 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103
Descriptor: 1,2-ETHANEDIOL, 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ...
Authors:Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-12
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103
To be Published
3W74
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BU of 3w74 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139
Descriptor: 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139
To be Published
3W7E
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BU of 3w7e by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-179
Descriptor: 5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-179
To be Published
3W7Q
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BU of 3w7q by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127
Descriptor: 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-02
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127
To be Published
3W85
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BU of 3w85 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-139
Descriptor: 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-139
To be Published
3W72
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BU of 3w72 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-107
Descriptor: 5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-107
To be Published
3W7D
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BU of 3w7d by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-170
Descriptor: 5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-170
To be Published
3W7R
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BU of 3w7r by Molmil
Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097
Descriptor: 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-06
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097
To be Published
3W7P
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BU of 3w7p by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-4-031
Descriptor: 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-02
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-4-031
To be Published

222624

數據於2024-07-17公開中

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