5M4B
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![BU of 5m4b by Molmil](/molmil-images/mine/5m4b) | Alpha-amino epsilon-caprolactam racemase D210A mutant in complex with PLP and geminal diamine intermediate | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, [6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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5M49
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![BU of 5m49 by Molmil](/molmil-images/mine/5m49) | Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine) | Descriptor: | (3~{R})-3-azanylazepan-2-one, (3~{S})-3-azanylazepan-2-one, Aminotransferase class-III, ... | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-10-18 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography Acs Catalysis, 7, 2017
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5MBT
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![BU of 5mbt by Molmil](/molmil-images/mine/5mbt) | CeuE (H227L, Y288F variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | Enterochelin uptake periplasmic binding protein | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-11-08 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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6TAA
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![BU of 6taa by Molmil](/molmil-images/mine/6taa) | STRUCTURE AND MOLECULAR MODEL REFINEMENT OF ASPERGILLUS ORYZAE (TAKA) ALPHA-AMYLASE: AN APPLICATION OF THE SIMULATED-ANNEALING METHOD | Descriptor: | ALPHA-AMYLASE, CALCIUM ION | Authors: | Swift, H.J, Brady, L, Derewenda, Z.S, Dodson, E.J, Turkenburg, J.P, Wilkinson, A.J. | Deposit date: | 1992-08-21 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and molecular model refinement of Aspergillus oryzae (TAKA) alpha-amylase: an application of the simulated-annealing method. Acta Crystallogr.,Sect.B, 47, 1991
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5MT9
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![BU of 5mt9 by Molmil](/molmil-images/mine/5mt9) | Human insulin in complex with serotonin and arginine | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2017-01-07 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
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5MT3
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![BU of 5mt3 by Molmil](/molmil-images/mine/5mt3) | Human insulin in complex with serotonin and arginine | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2017-01-06 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
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4ZJN
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![BU of 4zjn by Molmil](/molmil-images/mine/4zjn) | Crystal structure of the bacteriophage G20C portal protein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Portal protein | Authors: | Williams, L.S, Turkenburg, J.P, Levdikov, V.M, Minakhin, L, Severinov, K, Antson, A.A. | Deposit date: | 2015-04-29 | Release date: | 2015-05-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of the bacteriophage G20C portal protein To be published
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5A5V
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![BU of 5a5v by Molmil](/molmil-images/mine/5a5v) | A complex of the synthetic siderophore analogue Fe(III)-6-LICAM with the CeuE periplasmic protein from Campylobacter jejuni | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide) | Authors: | Blagova, E, Hughes, A, Moroz, O.V, Raines, D.J, Wilde, E.J, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2015-06-22 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5BY3
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![BU of 5by3 by Molmil](/molmil-images/mine/5by3) | A novel family GH115 4-O-Methyl-alpha-glucuronidase, BtGH115A, with specificity for decorated arabinogalactans | Descriptor: | BtGH115A, NICKEL (II) ION, SULFATE ION | Authors: | Lammerts van Bueren, A, Davies, G.J, Turkenburg, J.P. | Deposit date: | 2015-06-10 | Release date: | 2015-07-22 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural and Functional Characterization of a Novel Family GH115 4-O-Methyl-alpha-Glucuronidase with Specificity for Decorated Arabinogalactans. J.Mol.Biol., 427, 2015
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5AD1
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![BU of 5ad1 by Molmil](/molmil-images/mine/5ad1) | A complex of the synthetic siderophore analogue Fe(III)-8-LICAM with the CeuE periplasmic protein from Campylobacter jejuni | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE) | Authors: | Blagova, E, Hughes, A, Moroz, O.V, Raines, D.J, Wilde, E.J, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5ADW
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![BU of 5adw by Molmil](/molmil-images/mine/5adw) | The Periplasmic Binding Protein CeuE of Campylobacter jejuni preferentially binds the iron(III) complex of the Linear Dimer Component of Enterobactin | Descriptor: | 2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID, DIMETHYL SULFOXIDE, ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, ... | Authors: | Raines, D.J, Moroz, O.V, Turkenburg, J.P, Wilson, K.S, Duhme-Klair, A.K. | Deposit date: | 2015-08-24 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacteria in an Intense Competition for Iron: Key Component of the Campylobacter Jejuni Iron Uptake System Scavenges Enterobactin Hydrolysis Product. Proc.Natl.Acad.Sci.USA, 113, 2016
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5ADV
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![BU of 5adv by Molmil](/molmil-images/mine/5adv) | The Periplasmic Binding Protein CeuE of Campylobacter jejuni preferentially binds the iron(III) complex of the Linear Dimer Component of Enterobactin | Descriptor: | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, 2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Raines, D.J, Moroz, O.V, Turkenburg, J.P, Wilson, K.S, Duhme-Klair, A.K. | Deposit date: | 2015-08-24 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacteria in an Intense Competition for Iron: Key Component of the Campylobacter Jejuni Iron Uptake System Scavenges Enterobactin Hydrolysis Product. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BQQ
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![BU of 5bqq by Molmil](/molmil-images/mine/5bqq) | Human insulin with intra-chain chemical crosslink between modified B27 and B30 | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2015-05-29 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking. Sci Rep, 6, 2016
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5BPO
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![BU of 5bpo by Molmil](/molmil-images/mine/5bpo) | |
5A5D
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![BU of 5a5d by Molmil](/molmil-images/mine/5a5d) | A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with the CeuE periplasmic protein from Campylobacter jejuni | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) | Authors: | Blagova, E, Hughes, A, Moroz, O.V, Raines, D.J, Wilde, E.J, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2015-06-17 | Release date: | 2016-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5BOQ
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![BU of 5boq by Molmil](/molmil-images/mine/5boq) | Human insulin with intra-chain chemical crosslink between modified B24 and B29 | Descriptor: | Insulin, SULFATE ION | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2015-05-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking. Sci Rep, 6, 2016
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2IYA
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![BU of 2iya by Molmil](/molmil-images/mine/2iya) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-13 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2IYF
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![BU of 2iyf by Molmil](/molmil-images/mine/2iyf) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ... | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-17 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2JEQ
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![BU of 2jeq by Molmil](/molmil-images/mine/2jeq) | Family 5 xyloglucanase from Paenibacillus pabuli in complex with ligand | Descriptor: | XYLOGLUCANASE, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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2JEN
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![BU of 2jen by Molmil](/molmil-images/mine/2jen) | Family 12 xyloglucanase from Bacillus licheniformis in complex with ligand | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ENDO-BETA-1,4-GLUCANASE, GLYCEROL, ... | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K.S, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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2JEM
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![BU of 2jem by Molmil](/molmil-images/mine/2jem) | Native family 12 xyloglucanase from Bacillus licheniformis | Descriptor: | ENDO-BETA-1,4-GLUCANASE | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K.S, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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2JEP
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![BU of 2jep by Molmil](/molmil-images/mine/2jep) | Native family 5 xyloglucanase from Paenibacillus pabuli | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, XYLOGLUCANASE | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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2JKE
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![BU of 2jke by Molmil](/molmil-images/mine/2jke) | Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with deoxynojirimycin | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), ... | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-28 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
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2JKP
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![BU of 2jkp by Molmil](/molmil-images/mine/2jkp) | Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION, ... | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-29 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
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2JKA
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![BU of 2jka by Molmil](/molmil-images/mine/2jka) | Native structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-23 | Release date: | 2008-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
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