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6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
7KHN
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BU of 7khn by Molmil
NicA2 variant N462Y/W427Y in complex with (S)-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-10-21
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
7KHO
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BU of 7kho by Molmil
NicA2 variant N462V in complex with (S)-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-10-21
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
5TTJ
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BU of 5ttj by Molmil
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5TTK
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BU of 5ttk by Molmil
Crystal Structure of Selenomethionine-incorporated Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-01-25
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
8D7F
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BU of 8d7f by Molmil
FlvF from Aspergillus flavus in complex with Bis-Tris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Terpene cyclase flvF
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2022-06-07
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the Repurposed Fungal Terpene Cyclase FlvF Implicated in the C-N Bond-Forming Reaction of Flavunoidine Biosynthesis.
Biochemistry, 61, 2022
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Descriptor: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
Descriptor: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
Descriptor: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
Descriptor: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
Descriptor: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
Descriptor: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
Descriptor: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
8OWZ
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BU of 8owz by Molmil
Crystal structure of human Sirt2 in complex with a triazole-based SirReal
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
Authors:Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
Deposit date:2023-04-28
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8EEK
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BU of 8eek by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tyramine
Descriptor: 4-(2-aminoethyl)phenol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEF
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BU of 8eef by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to octopamine
Descriptor: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, Amine oxidase, ...
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEJ
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BU of 8eej by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEO
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BU of 8eeo by Molmil
C. ammoniagenes monoamine oxidase bound to cadaverine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PENTANE-1,5-DIAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEG
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BU of 8eeg by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to dopamine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEL
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BU of 8eel by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to 5-aminopentanol
Descriptor: 5-aminopentan-1-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEI
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BU of 8eei by Molmil
Unbound C. ammoniagenes monoamine oxidase (MAO)
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEM
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BU of 8eem by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to norepinephrine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, Noradrenaline
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEH
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BU of 8eeh by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEN
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BU of 8een by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023

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