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7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
著者Parnell, A.E, Back, C.R, Race, P.R.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
2KGD
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BU of 2kgd by Molmil
NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGC
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BU of 2kgc by Molmil
NMR Solution Structures of octanoyl ACP (a non-natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KG9
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BU of 2kg9 by Molmil
NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-07
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGE
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BU of 2kge by Molmil
NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KG8
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BU of 2kg8 by Molmil
NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, Actinorhodin polyketide synthase acyl carrier protein
著者Crump, M.P, Evans, S.E, Williams, C, Eliza, P.
登録日2009-03-06
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGA
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BU of 2kga by Molmil
NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-07
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2L22
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BU of 2l22 by Molmil
Mupirocin didomain ACP
分子名称: Mupirocin didomain Acyl Carrier Protein
著者Dong, X, Williams, C, Crump, M.P, Wattana-amorn, P.
登録日2010-08-10
公開日2012-02-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A conserved motif flags acyl carrier proteins for beta-branching in polyketide synthesis.
Nat.Chem.Biol., 9, 2013
4YWF
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BU of 4ywf by Molmil
AbyA5
分子名称: AbyA5
著者Byrne, M.J, Race, P.R.
登録日2015-03-20
公開日2016-06-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
2KOO
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BU of 2koo by Molmil
NMR solution structures of hexanoyl-ACP from the Streptomyces coelicolor Fatty Acid Synthase
分子名称: Acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
著者Ploskon, E, Arthur, C.J, Crump, M.P.
登録日2009-09-29
公開日2010-08-18
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Chem.Biol., 17, 2010
2KOP
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BU of 2kop by Molmil
NMR solution structures of 3-oxooctanyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
分子名称: Acyl carrier protein, [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
著者Ploskon, E, Arthur, C.J, Crump, M.P.
登録日2009-09-29
公開日2010-08-18
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Chem.Biol., 17, 2010
2KG6
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BU of 2kg6 by Molmil
Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
著者Crump, M.P, Evans, S.E, Eliza, P, Christopher, W.
登録日2009-03-06
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KOS
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BU of 2kos by Molmil
NMR solution structures of octanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
分子名称: Acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
著者Ploskon, E, Arthur, C, Crump, M.P.
登録日2009-09-29
公開日2010-08-18
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Chem.Biol., 17, 2010
2KOR
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BU of 2kor by Molmil
NMR solution structures of 2-octenoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
分子名称: Acyl carrier protein, S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate
著者Ploskon, E, Arthur, C.J, Crump, M.P.
登録日2009-09-29
公開日2010-08-18
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Chem.Biol., 17, 2010
2KOQ
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BU of 2koq by Molmil
NMR solution structures of 3-hydroxyoctanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
分子名称: Acyl carrier protein, S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate
著者Ploskon, E, Arthur, C.J, Kanari, A.J, Crump, M.P.
登録日2009-09-29
公開日2010-08-18
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Chem.Biol., 17, 2010
5DYQ
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BU of 5dyq by Molmil
AbyU L73M L139M
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
著者Byrne, M.J, Race, P.R.
登録日2015-09-25
公開日2016-06-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
5DYV
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BU of 5dyv by Molmil
AbyU - wildtype
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
著者Race, P.R, Byrne, M.J.
登録日2015-09-25
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
6TBB
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BU of 6tbb by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin)
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Fage, C.D, Masschelein, J.
登録日2019-11-01
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TBC
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BU of 6tbc by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B
分子名称: (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Fage, C.D, Masschelein, J.
登録日2019-11-01
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
4Q1H
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BU of 4q1h by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI, ...
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
4Q1K
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BU of 4q1k by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: GLYCEROL, PHOSPHATE ION, polyketide biosynthesis enoyl-CoA isomerase PksI
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
4Q1J
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BU of 4q1j by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: 1,2-ETHANEDIOL, Polyketide biosynthesis enoyl-CoA isomerase PksI, SODIUM ION
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
4Q1I
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BU of 4q1i by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
4Q1G
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BU of 4q1g by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
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