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6FXD
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BU of 6fxd by Molmil
Crystal structure of MupZ from Pseudomonas fluorescens
分子名称: MupZ
著者Wang, L, Parnell, A, Williams, C, Bakar, N.A, van der Kamp, M.W, Simpson, T.J, Race, P.R, Crump, M.P, Willis, C.L.
登録日2018-03-08
公開日2019-03-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Rieske oxygenase/epoxide hydrolase-catalysed reaction cascade creates oxygen heterocycles in mupirocin biosynthesis
Nat Catal, 2018
2MVU
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BU of 2mvu by Molmil
Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
著者Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
登録日2014-10-15
公開日2015-10-21
実験手法SOLUTION NMR
主引用文献ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
2MVV
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BU of 2mvv by Molmil
Solution Structure of the 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
著者Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
登録日2014-10-15
公開日2015-10-21
実験手法SOLUTION NMR
主引用文献ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
7QU9
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BU of 7qu9 by Molmil
Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
分子名称: Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN
著者Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
To Be Published
5E1V
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BU of 5e1v by Molmil
Crystal structure of a monomeric dehydratase domain from a trans AT polyketide synthase split module
分子名称: Polyketide synthase PksL
著者Till, M, Ackrill, T.D, Pernstich, C, Willis, C.L, Race, P.R.
登録日2015-09-30
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.874 Å)
主引用文献Crystal structure of a monomeric dehydratase domain from a trans AT polyketide synthase split module
To Be Published
5DZ6
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BU of 5dz6 by Molmil
Acyl transferase from Bacillaene PKS
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Till, M, Race, P.R.
登録日2015-09-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-acyltransferase polyketide synthases
To Be Published
8OF7
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BU of 8of7 by Molmil
Cyc15 Diels Alderase
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R.
登録日2023-03-14
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
5NO5
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BU of 5no5 by Molmil
AbyA5 Wildtype
分子名称: AbyA5
著者Byrne, M.J, Race, P.R.
登録日2017-04-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
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
6TG5
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BU of 6tg5 by Molmil
Solution structure of MacpD, a acyl carrier protein, from Pseudomonas fluorescens involved in Mupirocin biosynthesis.
分子名称: MacpD
著者Williams, C, Crump, M.P.
登録日2019-11-15
公開日2020-02-19
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Priming Cassette Generates Hydroxylated Acyl Starter Units in Mupirocin and Thiomarinol Biosynthesis.
Acs Chem.Biol., 15, 2020
7PI1
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BU of 7pi1 by Molmil
Bacillus subtilis PabB
分子名称: Aminodeoxychorismate synthase component 1, MAGNESIUM ION, TRYPTOPHAN
著者Rooms, L.D, Race, P.R.
登録日2021-08-19
公開日2022-09-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献Crystal structure of Bacillus subtilis PabB, component 1.
To be published
7PXO
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BU of 7pxo by Molmil
Structure of the Diels Alderase enzyme AbyU, from Micromonospora maris, co-crystallised with a non transformable substrate analogue
分子名称: (2~{S},4~{S})-1-(4-methoxy-5-methyl-2-oxidanylidene-3~{H}-furan-3-yl)-2,4-dimethyl-dodecane-1,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
著者Back, C.R, Race, P.R.
登録日2021-10-08
公開日2022-11-16
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Delineation of the Complete Reaction Cycle of a Natural Diels-Alderase
To Be Published
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
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
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
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
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
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

 

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