4UTW
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![BU of 4utw by Molmil](/molmil-images/mine/4utw) | Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens | Descriptor: | CHLORIDE ION, N-acetyl-D-glucosamine-6-phosphate, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE | 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 (1.9 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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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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4V28
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![BU of 4v28 by Molmil](/molmil-images/mine/4v28) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Man-Man-Methylumbelliferone | Descriptor: | 1,2-ETHANEDIOL, 7-hydroxy-4-methyl-2H-chromen-2-one, ACETATE ION, ... | Authors: | Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J. | Deposit date: | 2014-10-07 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp. Chemistry, 21, 2015
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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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4V1S
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![BU of 4v1s by Molmil](/molmil-images/mine/4v1s) | Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron | Descriptor: | ALPHA-1,6-MANNANASE, GLYCEROL | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 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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6RRH
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![BU of 6rrh by Molmil](/molmil-images/mine/6rrh) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RYV
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![BU of 6ryv by Molmil](/molmil-images/mine/6ryv) | Copper oxidase from Colletotrichum graminicola | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Kelch domain-containing protein, ... | Authors: | Offen, W.A, Henrissat, B, Davies, G.J. | Deposit date: | 2019-06-12 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing Acs Catalysis, 2020
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6S04
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![BU of 6s04 by Molmil](/molmil-images/mine/6s04) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid | Descriptor: | ACETATE ION, GLYCEROL, N-glycolyl-beta-neuraminic acid, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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6RW7
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![BU of 6rw7 by Molmil](/molmil-images/mine/6rw7) | An AA10 LPMO from the shipworm symbiont Teredinibacter turnerae | Descriptor: | COPPER (I) ION, COPPER (II) ION, Carbohydrate binding module family 33 and 10 domain protein, ... | Authors: | Fowler, C.A, Sabbadin, F, Ciano, L, Hemsworth, G.R, Elias, L, Bruce, N.C, McQueen-Mason, S, Walton, P, Davies, G.J. | Deposit date: | 2019-06-04 | Release date: | 2019-10-09 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery, activity and characterisation of an AA10 lytic polysaccharide oxygenase from the shipworm symbiontTeredinibacter turnerae. Biotechnol Biofuels, 12, 2019
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6RYX
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![BU of 6ryx by Molmil](/molmil-images/mine/6ryx) | Copper oxidase from Colletotrichum graminicola | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Offen, W.A, Henrissat, B, Davies, G.J. | Deposit date: | 2019-06-12 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing Acs Catalysis, 2020
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6RZD
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![BU of 6rzd by Molmil](/molmil-images/mine/6rzd) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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6RQZ
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![BU of 6rqz by Molmil](/molmil-images/mine/6rqz) | GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine | Descriptor: | (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-16 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RRW
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![BU of 6rrw by Molmil](/molmil-images/mine/6rrw) | GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol | Descriptor: | (2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6S00
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![BU of 6s00 by Molmil](/molmil-images/mine/6s00) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-acetylneuraminic acid | Descriptor: | GLYCEROL, N-acetyl-beta-neuraminic acid, TETRAETHYLENE GLYCOL, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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6S0E
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![BU of 6s0e by Molmil](/molmil-images/mine/6s0e) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ACETATE ION, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-14 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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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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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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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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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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8PEJ
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![BU of 8pej by Molmil](/molmil-images/mine/8pej) | CjGH35 with a Galactosidase Activity-Based Probe | Descriptor: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W.A, Davies, G.J. | Deposit date: | 2023-06-14 | Release date: | 2023-10-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe. Org.Biomol.Chem., 21, 2023
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8P0L
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![BU of 8p0l by Molmil](/molmil-images/mine/8p0l) | Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | Authors: | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | Deposit date: | 2023-05-10 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics. Acs Catalysis, 13, 2023
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