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PDB: 9 results

6AY6
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BU of 6ay6 by Molmil
Naegleria fowleri CYP51-voriconazole complex
Descriptor: CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
Deposit date:2017-09-07
Release date:2017-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AYB
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BU of 6ayb by Molmil
Naegleria fowleri CYP51-ketoconazole complex
Descriptor: 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, ...
Authors:Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
Deposit date:2017-09-08
Release date:2017-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AYC
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BU of 6ayc by Molmil
Naegleria fowleri CYP51-itraconazole complex
Descriptor: 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
Authors:Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
Deposit date:2017-09-08
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AY4
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BU of 6ay4 by Molmil
Naegleria fowleri CYP51-fluconazole complex
Descriptor: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ...
Authors:Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
Deposit date:2017-09-07
Release date:2017-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
5TL8
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BU of 5tl8 by Molmil
Naegleria fowleri CYP51-posaconazole complex
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ...
Authors:Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A.
Deposit date:2016-10-10
Release date:2017-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution
To be published
4CBQ
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BU of 4cbq by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with auranofin Au(I) bound to Cys286
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, ...
Authors:Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
Deposit date:2013-10-16
Release date:2014-11-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
4CW9
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BU of 4cw9 by Molmil
Entamoeba histolytica thiredoxin C34S mutant
Descriptor: THIOREDOXIN
Authors:Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
Deposit date:2014-04-01
Release date:2015-05-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
4CCQ
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BU of 4ccq by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
Deposit date:2013-10-24
Release date:2014-11-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
4CCR
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BU of 4ccr by Molmil
Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, THIOREDOXIN REDUCTASE
Authors:Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
Deposit date:2013-10-25
Release date:2014-11-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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

221051

PDB entries from 2024-06-12

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