6I6R
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![BU of 6i6r by Molmil](/molmil-images/mine/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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6FI2
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![BU of 6fi2 by Molmil](/molmil-images/mine/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
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![BU of 6zzs by Molmil](/molmil-images/mine/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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6ENK
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![BU of 6enk by Molmil](/molmil-images/mine/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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6ZZO
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![BU of 6zzo by Molmil](/molmil-images/mine/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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6ZZQ
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![BU of 6zzq by Molmil](/molmil-images/mine/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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6ZZP
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![BU of 6zzp by Molmil](/molmil-images/mine/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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7P1E
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![BU of 7p1e by Molmil](/molmil-images/mine/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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7P1S
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![BU of 7p1s by Molmil](/molmil-images/mine/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
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![BU of 7p1f by Molmil](/molmil-images/mine/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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7P1B
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![BU of 7p1b by Molmil](/molmil-images/mine/7p1b) | |
7P1O
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![BU of 7p1o by Molmil](/molmil-images/mine/7p1o) | |
7P1U
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![BU of 7p1u by Molmil](/molmil-images/mine/7p1u) | |
7P1Q
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![BU of 7p1q by Molmil](/molmil-images/mine/7p1q) | |
7P1R
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![BU of 7p1r by Molmil](/molmil-images/mine/7p1r) | |
7P1D
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![BU of 7p1d by Molmil](/molmil-images/mine/7p1d) | |
7P1V
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![BU of 7p1v by Molmil](/molmil-images/mine/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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3TEK
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![BU of 3tek by Molmil](/molmil-images/mine/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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5N4F
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![BU of 5n4f by Molmil](/molmil-images/mine/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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5N4D
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![BU of 5n4d by Molmil](/molmil-images/mine/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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5N4C
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![BU of 5n4c by Molmil](/molmil-images/mine/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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5N4E
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![BU of 5n4e by Molmil](/molmil-images/mine/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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2VL7
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![BU of 2vl7 by Molmil](/molmil-images/mine/2vl7) | Structure of S. tokodaii Xpd4 | Descriptor: | PHOSPHATE ION, XPD | Authors: | Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G. | Deposit date: | 2008-01-08 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the DNA Repair Helicase Xpd. Cell(Cambridge,Mass.), 133, 2008
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2VH3
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![BU of 2vh3 by Molmil](/molmil-images/mine/2vh3) | ranasmurfin | Descriptor: | GLYCEROL, RANASMURFIN, SULFATE ION, ... | Authors: | Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H. | Deposit date: | 2007-11-17 | Release date: | 2007-12-04 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog. Angew.Chem.Int.Ed.Engl., 47, 2008
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4FQ9
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![BU of 4fq9 by Molmil](/molmil-images/mine/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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