6FXD
| Crystal structure of MupZ from Pseudomonas fluorescens | Descriptor: | MupZ | Authors: | 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. | Deposit date: | 2018-03-08 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Rieske oxygenase/epoxide hydrolase-catalysed reaction cascade creates oxygen heterocycles in mupirocin biosynthesis Nat Catal, 2018
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5E1V
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2MVV
| Solution Structure of the 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | Descriptor: | 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 | Authors: | Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P. | Deposit date: | 2014-10-15 | Release date: | 2015-10-21 | Last modified: | 2024-10-09 | Method: | SOLUTION NMR | Cite: | ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates To be Published
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2MVU
| Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | Descriptor: | 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 | Authors: | Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P. | Deposit date: | 2014-10-15 | Release date: | 2015-10-21 | Method: | SOLUTION NMR | Cite: | ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates To be Published
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7QU9
| Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | Descriptor: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | Authors: | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. To Be Published
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8OF7
| Cyc15 Diels Alderase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R. | Deposit date: | 2023-03-14 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases. Chembiochem, 24, 2023
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5NO5
| AbyA5 Wildtype | Descriptor: | AbyA5 | Authors: | Byrne, M.J, Race, P.R. | Deposit date: | 2017-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis. Angew.Chem.Int.Ed.Engl., 58, 2019
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5DYV
| AbyU - wildtype | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | Authors: | Race, P.R, Byrne, M.J. | Deposit date: | 2015-09-25 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail. J.Am.Chem.Soc., 138, 2016
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5DZ6
| Acyl transferase from Bacillaene PKS | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Till, M, Race, P.R. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-acyltransferase polyketide synthases To Be Published
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5DYQ
| AbyU L73M L139M | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | Authors: | Byrne, M.J, Race, P.R. | Deposit date: | 2015-09-25 | Release date: | 2016-06-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail. J.Am.Chem.Soc., 138, 2016
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6TBB
| Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Fage, C.D, Masschelein, J. | Deposit date: | 2019-11-01 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 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
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6TBC
| Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | Descriptor: | (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 | Authors: | Fage, C.D, Masschelein, J. | Deposit date: | 2019-11-01 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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6TG5
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7PI1
| Bacillus subtilis PabB | Descriptor: | Aminodeoxychorismate synthase component 1, MAGNESIUM ION, TRYPTOPHAN | Authors: | Rooms, L.D, Race, P.R. | Deposit date: | 2021-08-19 | Release date: | 2022-09-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | Crystal structure of Bacillus subtilis PabB, component 1. To be published
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7PXO
| Structure of the Diels Alderase enzyme AbyU, from Micromonospora maris, co-crystallised with a non transformable substrate analogue | Descriptor: | (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 | Authors: | Back, C.R, Race, P.R. | Deposit date: | 2021-10-08 | Release date: | 2022-11-16 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Delineation of the Complete Reaction Cycle of a Natural Diels-Alderase To Be Published
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7QAN
| Cytochrome P450 Enzyme AbyV | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... | Authors: | Parnell, A.E, Back, C.R, Race, P.R. | Deposit date: | 2021-11-17 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
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2L22
| Mupirocin didomain ACP | Descriptor: | Mupirocin didomain Acyl Carrier Protein | Authors: | Dong, X, Williams, C, Crump, M.P, Wattana-amorn, P. | Deposit date: | 2010-08-10 | Release date: | 2012-02-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A conserved motif flags acyl carrier proteins for beta-branching in polyketide synthesis. Nat.Chem.Biol., 9, 2013
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4YWF
| AbyA5 | Descriptor: | AbyA5 | Authors: | Byrne, M.J, Race, P.R. | Deposit date: | 2015-03-20 | Release date: | 2016-06-29 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis. Angew.Chem.Int.Ed.Engl., 58, 2019
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2KGD
| NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | 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 | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KGC
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2KOO
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2KOP
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2KG9
| NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-07 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KGE
| NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | 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 | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KG8
| NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | 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 | Authors: | Crump, M.P, Evans, S.E, Williams, C, Eliza, P. | Deposit date: | 2009-03-06 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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