8QC8
 
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8QC6
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8QC2
 | | Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Pickles, I.B, Sharma, M, Davies, G.J. | | 登録日 | 2023-08-25 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
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8R56
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5ACC
 | | A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models | | 分子名称: | (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR | | 著者 | Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C. | | 登録日 | 2015-08-15 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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6ZMV
 | | Structure of muramidase from Trichobolus zukalii | | 分子名称: | GLYCEROL, SULFATE ION, muramidase | | 著者 | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | | 登録日 | 2020-07-04 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution.
Plos One, 16, 2021
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7OU8
 | | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | | 著者 | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | | 登録日 | 2021-06-11 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
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8B0B
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB151 | | 分子名称: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Armstrong, Z, Davies, G.J. | | 登録日 | 2022-09-07 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8AX3
 | | Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride | | 分子名称: | (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2022-08-30 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
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8AWR
 | | Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride | | 分子名称: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2022-08-30 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
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8AWK
 | | Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | | 分子名称: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2022-08-30 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
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7BZL
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | | 分子名称: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | 著者 | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | 登録日 | 2020-04-28 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6IBT
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737 | | 分子名称: | (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Wu, L, Davies, G.J. | | 登録日 | 2018-11-30 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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7QHV
 | | Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | | 分子名称: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | 著者 | Snow, A, Davies, G.J. | | 登録日 | 2021-12-14 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
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6ZM8
 | | Structure of muramidase from Acremonium alcalophilum | | 分子名称: | muramidase | | 著者 | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | | 登録日 | 2020-07-01 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.78 Å) | | 主引用文献 | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution.
Plos One, 16, 2021
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2BO8
 | | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | | 分子名称: | CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ... | | 著者 | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | | 登録日 | 2005-04-08 | | 公開日 | 2005-06-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
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6ZFN
 | | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with 1-methyl alpha-1,2-mannobiose | | 分子名称: | Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-17 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7PZG
 | | Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, Lysophospholipase L1, MAGNESIUM ION, ... | | 著者 | Scott, H, Armstrong, Z, Davies, G.J. | | 登録日 | 2021-10-12 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | The structure of Phocaeicola vulgatus sialic acid acetylesterase.
Acta Crystallogr D Struct Biol, 78, 2022
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7PZH
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6ZDC
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with nickel | | 分子名称: | Glycoprotein endo-alpha-1,2-mannosidase, NICKEL (II) ION | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-14 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZFQ
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with bis-tris | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoprotein endo-alpha-1,2-mannosidase | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-17 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZJ1
 | | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW | | 分子名称: | 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, MAGNESIUM ION, ... | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-27 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.957 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6FWI
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) | | 分子名称: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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6FWP
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5IJU
 | | Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound | | 分子名称: | 1,2-ETHANEDIOL, BaAA10 Lytic Polysaccharide Monooxygenase, CALCIUM ION, ... | | 著者 | Gregory, R.C, Hemsworth, G.R, Turkenburg, J.P, Hart, S.J, Walton, P.H, Davies, G.J. | | 登録日 | 2016-03-02 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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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