6AY6
| Naegleria fowleri CYP51-voriconazole complex | 分子名称: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AYC
| Naegleria fowleri CYP51-itraconazole complex | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-08 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AY4
| Naegleria fowleri CYP51-fluconazole complex | 分子名称: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AYB
| Naegleria fowleri CYP51-ketoconazole complex | 分子名称: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-08 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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5TL8
| Naegleria fowleri CYP51-posaconazole complex | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ... | 著者 | Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A. | 登録日 | 2016-10-10 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution To be published
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4CW9
| Entamoeba histolytica thiredoxin C34S mutant | 分子名称: | THIOREDOXIN | 著者 | Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | 登録日 | 2014-04-01 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4CCR
| Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, THIOREDOXIN REDUCTASE | 著者 | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | 登録日 | 2013-10-25 | 公開日 | 2014-11-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4CBQ
| Crystal structure of the thioredoxin reductase from Entamoeba histolytica with auranofin Au(I) bound to Cys286 | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, ... | 著者 | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | 登録日 | 2013-10-16 | 公開日 | 2014-11-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4CCQ
| Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | 登録日 | 2013-10-24 | 公開日 | 2014-11-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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6Q2C
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4UP3
| Crystal structure of the mutant C140S,C286Q thioredoxin reductase from Entamoeba histolytica | 分子名称: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Podust, L.M, Vieira, D.F. | 登録日 | 2014-06-11 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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7RKT
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7RKW
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7RKR
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6UW2
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6UX0
| Isavuconazole bound complex of Acanthamoeba castellanii CYP51 | 分子名称: | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ... | 著者 | Sharma, V, Podust, L.M. | 登録日 | 2019-11-06 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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4A5L
| Crystal structure of the thioredoxin reductase from Entamoeba histolytica | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | 著者 | Podust, L.M. | 登録日 | 2011-10-25 | 公開日 | 2012-10-31 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4A65
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