7P1B
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7P1O
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7P1V
| Apo structure of KDNase from Trichophyton Rubrum | Descriptor: | CALCIUM ION, Extracellular sialidase/neuraminidase, GLYCEROL | 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 (1.47 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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8PCW
| Structure of Csm6' from Streptococcus thermophilus | Descriptor: | CRISPR system endoribonuclease Csm6' | Authors: | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | Deposit date: | 2023-06-11 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open. Nucleic Acids Res., 51, 2023
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8PE3
| Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6) | Descriptor: | CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA | Authors: | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | Deposit date: | 2023-06-13 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open. Nucleic Acids Res., 51, 2023
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6I6X
| New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | Descriptor: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | Deposit date: | 2018-11-15 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes. Chemistry, 24, 2018
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6I6R
| New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | Descriptor: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | Deposit date: | 2018-11-15 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes. Chemistry, 24, 2018
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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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6FI2
| VexL: A periplasmic depolymerase provides new insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid, MALONATE ION, VexL | Authors: | Naismith, J.H, McMahon, S.A, Le Bas, A, Liston, S.D, Whitfield, C. | Deposit date: | 2018-01-16 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Periplasmic depolymerase provides insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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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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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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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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6ENK
| The X-ray crystal structure of DesE bound to desferrioxamine B | Descriptor: | DesE, SODIUM ION, desferrioxamine B | Authors: | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | Deposit date: | 2017-10-05 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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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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2XU8
| Structure of Pa1645 | Descriptor: | PA1645, SULFATE ION | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | Deposit date: | 2010-10-15 | Release date: | 2010-12-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.98 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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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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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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2XU2
| Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa | Descriptor: | CITRIC ACID, UPF0271 PROTEIN PA4511 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-10-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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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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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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1I8T
| STRUCTURE OF UDP-GALACTOPYRANOSE MUTASE FROM E.COLI | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Sanders, D.A.R, Staines, A.G, McMahon, S.A, McNeil, M.R, Whitfield, C, Naismith, J.H. | Deposit date: | 2001-03-16 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | UDP-galactopyranose mutase has a novel structure and mechanism. Nat.Struct.Biol., 8, 2001
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2JG5
| CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | Authors: | Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG6
| CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS | Descriptor: | DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION | Authors: | Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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