4B0B
 
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline | | Descriptor: | 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H. | | Deposit date: | 2012-07-01 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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4B7C
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | | Authors: | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4B0I
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) mutant (H70N) from Pseudomonas aeruginosa in complex with 3-hydroxydecanoyl-N-acetyl cysteamine | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate | | Authors: | Moynie, L, McMahon, S.A, Leckie, S.M, Duthie, F.G, Koehnke, A, Naismith, J.H. | | Deposit date: | 2012-07-02 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonas Aeruginosa
J.Mol.Biol., 425, 2013
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4B8U
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide, SULFATE ION | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Brenk, R, Naismith, J.H. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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6ZZQ
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and acetoacetate | | Descriptor: | 3-hydroxybutyrate dehydrogenase, ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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6ZZO
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate | | Descriptor: | ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-04 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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6ZZP
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate | | Descriptor: | 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-04 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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7BDV
 | | Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4) | | Descriptor: | Can2, Cyclic tetraadenosine monophosphate (cA4) | | Authors: | McQuarrie, S, McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Zhu, W, Gruschow, S. | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The CRISPR ancillary effector Can2 is a dual-specificity nuclease potentiating type III CRISPR defence.
Nucleic Acids Res., 49, 2021
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6ZZS
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and 3-oxovalerate | | Descriptor: | 3-hydroxybutyrate dehydrogenase, 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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5FIU
 | | Binding and structural studies of a 5,5-difluoromethyl adenosine nucleoside with the fluorinase enzyme | | Descriptor: | 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5,5-DIFLUOROMETHYL ADENOSINE, L(+)-TARTARIC ACID | | Authors: | Thompson, S, McMahon, S.A, Naismith, J.H, O'Hagan, D. | | Deposit date: | 2015-10-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Exploration of a Potential Difluoromethyl-Nucleoside Substrate with the Fluorinase Enzyme.
Bioorg.Chem., 64, 2015
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4FQ9
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa | | Descriptor: | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION | | Authors: | Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-06-25 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
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5N4B
 | | Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant | | Descriptor: | Alpha-amanitin proprotein, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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5N4E
 | | Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant | | Descriptor: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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5N4C
 | | Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant | | Descriptor: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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5N4D
 | | Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant | | Descriptor: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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5N4F
 | | Prolyl oligopeptidase B from Galerina marginata - apo protein | | Descriptor: | GLYCEROL, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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3TEK
 | | ThermoDBP: a non-canonical single-stranded DNA binding protein with a novel structure and mechanism | | Descriptor: | ThermoDBP-single stranded DNA binding protein | | Authors: | White, M.F, Paytubi, S, Liu, H, Graham, S, McMahon, S.A, Naismith, J.H. | | Deposit date: | 2011-08-15 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Displacement of the canonical single-stranded DNA-binding protein in the Thermoproteales.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4BMK
 | | Serine Palmitoyltransferase K265A from S. paucimobilis with bound PLP- Myriocin Aldimine | | Descriptor: | Decarboxylated Myriocin, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wadsworth, J.M, Clarke, D.J, McMahon, S.A, Beattie, A.E, Lowther, J, Dunn, T.M, Naismith, J.H, Campopiano, D.J. | | Deposit date: | 2013-05-09 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The Chemical Basis of Serine Palmitoyltransferase Inhibition by Myriocin.
J.Am.Chem.Soc., 135, 2013
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7P1S
 | | Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION | | Authors: | Gloster, T.M, McMahon, S.A. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
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7P1F
 | | Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, GLYCEROL, ... | | Authors: | Gloster, T.M, McMahon, S.A. | | Deposit date: | 2021-07-01 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
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7P1U
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7P1E
 | | Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid | | Descriptor: | (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ... | | Authors: | Gloster, T.M, McMahon, S.A. | | Deposit date: | 2021-07-01 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
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7P1Q
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7P1R
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7P1B
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