2OVW
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![BU of 2ovw by Molmil](/molmil-images/mine/2ovw) | ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Sulzenbacher, G, Davies, G.J, Schulein, M. | Deposit date: | 1997-04-04 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution. Biochemistry, 36, 1997
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2PB1
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![BU of 2pb1 by Molmil](/molmil-images/mine/2pb1) | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A | Descriptor: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Hypothetical protein XOG1 | Authors: | Cutfield, S.M, Cutfield, J.F, Davies, G.J, Sullivan, P.A. | Deposit date: | 2007-03-28 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A To be Published
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2NLR
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![BU of 2nlr by Molmil](/molmil-images/mine/2nlr) | |
8S5B
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![BU of 8s5b by Molmil](/molmil-images/mine/8s5b) | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | Descriptor: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | Authors: | Snow, A.J.D, Sharma, M, Davies, G.J. | Deposit date: | 2024-02-23 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose. Org.Biomol.Chem., 22, 2024
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8RVK
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![BU of 8rvk by Molmil](/molmil-images/mine/8rvk) | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | Descriptor: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2024-02-01 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
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8OHX
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![BU of 8ohx by Molmil](/molmil-images/mine/8ohx) | Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHQ
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![BU of 8ohq by Molmil](/molmil-images/mine/8ohq) | Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHV
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![BU of 8ohv by Molmil](/molmil-images/mine/8ohv) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | Descriptor: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHR
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![BU of 8ohr by Molmil](/molmil-images/mine/8ohr) | Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | Descriptor: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHW
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![BU of 8ohw by Molmil](/molmil-images/mine/8ohw) | Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OGX
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![BU of 8ogx by Molmil](/molmil-images/mine/8ogx) | Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | Deposit date: | 2023-03-20 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHT
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![BU of 8oht by Molmil](/molmil-images/mine/8oht) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHU
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![BU of 8ohu by Molmil](/molmil-images/mine/8ohu) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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4UTF
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![BU of 4utf by Molmil](/molmil-images/mine/4utf) | 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
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4V1R
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![BU of 4v1r by Molmil](/molmil-images/mine/4v1r) | Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | Deposit date: | 2014-10-02 | Release date: | 2015-02-11 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron Acta Crystallogr.,Sect.D, 71, 2015
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4V1Z
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![BU of 4v1z by Molmil](/molmil-images/mine/4v1z) | The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE, ZINC ION | Authors: | Moroz, O.V, Maranta, M, Shaghasi, T, Harris, P.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-10-04 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Three-Dimensional Structure of the Cellobiohydrolase Cel7A from Aspergillus Fumigatus at 1.5 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
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4UZU
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![BU of 4uzu by Molmil](/molmil-images/mine/4uzu) | Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-09-09 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
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4V20
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![BU of 4v20 by Molmil](/molmil-images/mine/4v20) | The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus, disaccharide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CELLOBIOHYDROLASE, ... | Authors: | Moroz, O.V, Maranta, M, Shaghasi, T, Harris, P.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-10-05 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Three-Dimensional Structure of the Cellobiohydrolase Cel7A from Aspergillus Fumigatus at 1.5 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
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4UR9
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![BU of 4ur9 by Molmil](/molmil-images/mine/4ur9) | Structure of ligand bound glycosylhydrolase | Descriptor: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | Authors: | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | Deposit date: | 2014-06-27 | Release date: | 2015-02-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl., 53, 2014
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5IJU
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![BU of 5iju by Molmil](/molmil-images/mine/5iju) | Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound | Descriptor: | 1,2-ETHANEDIOL, BaAA10 Lytic Polysaccharide Monooxygenase, CALCIUM ION, ... | Authors: | Gregory, R.C, Hemsworth, G.R, Turkenburg, J.P, Hart, S.J, Walton, P.H, Davies, G.J. | Deposit date: | 2016-03-02 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens. Dalton Trans, 45, 2016
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1H6X
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![BU of 1h6x by Molmil](/molmil-images/mine/1h6x) | The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y | Authors: | Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. | Deposit date: | 2001-06-29 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
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1H6Y
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![BU of 1h6y by Molmil](/molmil-images/mine/1h6y) | The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y | Authors: | Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. | Deposit date: | 2001-06-29 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
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1W3J
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![BU of 1w3j by Molmil](/molmil-images/mine/1w3j) | Family 1 b-glucosidase from Thermotoga maritima in complex with tetrahydrooxazine | Descriptor: | BETA-GLUCOSIDASE, TETRAHYDROOXAZINE | Authors: | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | Deposit date: | 2004-07-16 | Release date: | 2004-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases J.Biol.Chem., 279, 2004
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8BAC
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![BU of 8bac by Molmil](/molmil-images/mine/8bac) | Crystal structure of human heparanase in complex with competitive inhibitor GD05 | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Davies, G.J. | Deposit date: | 2022-10-11 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase. Chembiochem, 24, 2023
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4UTU
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![BU of 4utu by Molmil](/molmil-images/mine/4utu) | Structural and biochemical characterization of the N- acetylmannosamine-6-phosphate 2-epimerase from Clostridium perfringens | Descriptor: | CHLORIDE ION, N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE, N-acetylmannosamine-6-phosphate | Authors: | Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F. | Deposit date: | 2014-07-23 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway J.Biol.Chem., 289, 2014
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