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4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
Authors:Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
Deposit date:2014-07-21
Release date:2014-12-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
5SUO
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BU of 5suo by Molmil
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae
Descriptor: Extracellular solute-binding protein, IODIDE ION
Authors:Robb, M, Boraston, A.B.
Deposit date:2016-08-03
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
5SWA
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BU of 5swa by Molmil
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae in complex with Man1GlcNAc
Descriptor: BROMIDE ION, Extracellular solute-binding protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Robb, M, Boraston, A.B.
Deposit date:2016-08-08
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
5SVB
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BU of 5svb by Molmil
Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase AMP bound structure
Descriptor: ADENOSINE MONOPHOSPHATE, Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, ...
Authors:Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W.
Deposit date:2016-08-05
Release date:2017-08-09
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA1
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BU of 5ta1 by Molmil
Crystal structure of BuGH86wt
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
Descriptor: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5SVC
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BU of 5svc by Molmil
Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure
Descriptor: Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, Acetone carboxylase gamma subunit, ...
Authors:Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W.
Deposit date:2016-08-05
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
5T3U
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BU of 5t3u by Molmil
Crystal Structure of the PTS IIA protein associated with the fucose utilization operon from Streptococcus pneumoniae
Descriptor: POLYETHYLENE GLYCOL (N=34), PTS system, IIA component
Authors:Higgins, M.A, Boraston, A.B.
Deposit date:2016-08-26
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural characterization of the PTS IIA and IIB proteins associated with pneumococcal fucose utilization.
Proteins, 85, 2017
5T0R
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BU of 5t0r by Molmil
Synaptotagmin 1 C2A domain, cadmium-bound
Descriptor: CADMIUM ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2016-08-16
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T49
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BU of 5t49 by Molmil
Crystal structure of SeMet derivative BhGH81
Descriptor: 1,2-ETHANEDIOL, BH0236 protein, PHOSPHATE ION
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5T5D
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BU of 5t5d by Molmil
Crystal Structure of the PTS IIB protein associated with the fucose utilization operon from Streptococcus pneumoniae
Descriptor: PTS system, IIB component
Authors:Higgins, M.A, Boraston, A.B.
Deposit date:2016-08-30
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of the PTS IIA and IIB proteins associated with pneumococcal fucose utilization.
Proteins, 85, 2017
5SWB
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BU of 5swb by Molmil
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae in complex with Man5GlcNAc
Descriptor: CADMIUM ION, Extracellular solute-binding protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-5)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Robb, M, Boraston, A.B.
Deposit date:2016-08-08
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
5SWI
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BU of 5swi by Molmil
Crystal structure of SpGH92 in complex with mannose
Descriptor: CALCIUM ION, GLYCEROL, Sugar hydrolase, ...
Authors:Shapiro-Ward, S, Boraston, A.B.
Deposit date:2016-08-08
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
5T0S
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BU of 5t0s by Molmil
Synaptotagmin 1 C2B domain, cadmium-bound
Descriptor: CADMIUM ION, SODIUM ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2016-08-16
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T4A
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BU of 5t4a by Molmil
Crystal structure of BhGH81 in complex with laminaro-hexaose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5T4C
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BU of 5t4c by Molmil
Crystal structure of BhGH81 mutant in complex with laminaro-hexaose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5TIW
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BU of 5tiw by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Racemic Oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, BICINE, CALCIUM ION, ...
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5T3B
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BU of 5t3b by Molmil
Crystal structure of BpGH50
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase
Authors:Giles, K, Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-25
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of a glycoside hydrolase family 50 enzyme from a subfamily that is enriched in human gut microbiome bacteroidetes.
Proteins, 85, 2017
5T4G
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BU of 5t4g by Molmil
Crystal structure of BhGH81 in complex with laminarin
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018

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