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5K5E
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BU of 5k5e by Molmil
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:De la Mora, E, Dighe, S.N, Deora, G.S, Ross, B.P, Nachon, F, Brazzolotto, X.
Deposit date:2016-05-23
Release date:2016-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.
J.Med.Chem., 59, 2016
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNO
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BU of 6pno by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
Descriptor: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FPH
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BU of 6fph by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h
Descriptor: 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-09
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOZ
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BU of 6foz by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 13
Descriptor: 5-(3,4-dichlorophenyl)furan-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019

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數據於2024-07-10公開中

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