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PDB: 739 件

7BC1
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Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose
分子名称: Aryl-alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alpha-D-glucopyranose
著者Snow, A, Sharma, M, Davies, G.J.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BBY
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Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
分子名称: Aryl-alcohol dehydrogenase, PHOSPHATE ION
著者Snow, A, Sharma, M, Davies, G.J.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
6HMH
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Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
分子名称: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
6HZY
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Crystal structure of a bacterial fucosidase with inhibitor FucPUG
分子名称: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
著者Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
登録日2018-10-24
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
6HA9
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Structure of an endo-Xyloglucanase from Cellvibrio japonicus complexed with XXXG(2F)-beta-DNP
分子名称: Cellulase, putative, cel5D, ...
著者Offen, W.A, Davies, G.J.
登録日2018-08-07
公開日2018-10-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
6HKI
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BU of 6hki by Molmil
Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase
分子名称: Protein O-GlcNAcase
著者Males, A, Davies, G.J.
登録日2018-09-06
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural studies of a surface-entropy reduction mutant of O-GlcNAcase.
Acta Crystallogr D Struct Biol, 75, 2019
7PZH
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Phocaeicola vulgatus sialic acid esterase at 2.06 Angstrom resolution
分子名称: 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 (2.06 Å)
主引用文献The structure of Phocaeicola vulgatus sialic acid acetylesterase.
Acta Crystallogr D Struct Biol, 78, 2022
7PZG
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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
7BZL
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BU of 7bzl by Molmil
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
6IBM
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BU of 6ibm by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
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 (2.07 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
6IBK
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Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763
分子名称: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-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 (1.99 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
7AGH
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BU of 7agh by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Sulfofructose kinase
著者Sharma, M, Davies, G.J, Jin, Y.
登録日2020-09-22
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
分子名称: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
分子名称: SULFATE ION, Sulfofructosephosphate aldolase
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG1
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BU of 7ag1 by Molmil
Crystal structure of E. coli SFP aldolase (YihT) from sulfo-EMP pathway
分子名称: 1,2-ETHANEDIOL, Sulfofructosephosphate aldolase
著者Sharma, M, Davies, G.J, Jin, Y.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG6
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BU of 7ag6 by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with sulfofructose (SF), ADP-Mg
分子名称: 6-deoxy-6-sulfo-D-fructose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AGK
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BU of 7agk by Molmil
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)
分子名称: Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
著者Sharma, M, Davies, G.J.
登録日2020-09-22
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
5ARC
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BU of 5arc by Molmil
Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase
分子名称: 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, GLYCEROL, ...
著者Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G.
登録日2015-09-24
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase
To be Published
6HMG
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BU of 6hmg by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine)
分子名称: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
6HPF
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BU of 6hpf by Molmil
Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
著者von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M.
登録日2018-09-20
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata.
Sci Rep, 9, 2019
6HAA
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BU of 6haa by Molmil
Structure of a covalent complex of endo-Xyloglucanase from Cellvibrio japonicus after reacting with XXXG(2F)-beta-DNP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellulase, putative, ...
著者Offen, W, Davies, G.J.
登録日2018-08-07
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
7DIF
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BU of 7dif by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution
分子名称: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM 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2020-11-19
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 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
6I6M
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BU of 6i6m by Molmil
Papaver somniferum O-methyltransferase 1
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P.
登録日2018-11-15
公開日2019-03-27
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 Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I6K
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Papaver somniferum O-methyltransferase 1
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P.
登録日2018-11-15
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
6I5Q
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BU of 6i5q by Molmil
Papaver somniferum O-methyltransferase 1
分子名称: O-methyltransferase 1
著者Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P.
登録日2018-11-14
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019

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件を2024-07-17に公開中

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