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5NPD
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BU of 5npd by Molmil
Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021
分子名称: (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
著者Wu, L, Davies, G.J.
登録日2017-04-16
公開日2017-08-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5NPF
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BU of 5npf by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ...
著者Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
登録日2017-04-16
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5O0S
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BU of 5o0s by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711
分子名称: (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
登録日2017-05-16
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
6I6X
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BU of 6i6x by Molmil
New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes
分子名称: (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gloster, T.M, McMahon, S.A, Oehler, V.
登録日2018-11-15
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
6I6R
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BU of 6i6r by Molmil
New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes
分子名称: (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ...
著者Gloster, T.M, McMahon, S.A, Oehler, V.
登録日2018-11-15
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
6YQ7
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BU of 6yq7 by Molmil
Taka-amylase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
著者Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
登録日2020-04-16
公開日2020-06-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQC
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BU of 6yqc by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
分子名称: (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
登録日2020-04-16
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQ9
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BU of 6yq9 by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
分子名称: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
登録日2020-04-16
公開日2021-02-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQB
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BU of 6yqb by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
著者Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
登録日2020-04-16
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQA
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BU of 6yqa by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor
分子名称: (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
登録日2020-04-16
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
5G0Q
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BU of 5g0q by Molmil
beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound
分子名称: (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-03-22
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5I23
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BU of 5i23 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022
分子名称: 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ...
著者Wu, L, Davies, G.J.
登録日2016-02-08
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5I24
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BU of 5i24 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021
分子名称: (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wu, L, Davies, G.J.
登録日2016-02-08
公開日2016-05-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5LA7
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BU of 5la7 by Molmil
Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355
分子名称: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Jin, Y, Davies, G.J.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L77
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BU of 5l77 by Molmil
A glycoside hydrolase mutant with an unreacted activity based probe bound
分子名称: (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-06-02
公開日2017-05-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Y
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BU of 5l9y by Molmil
Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355
分子名称: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Jin, Y, Davies, G.J.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA4
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BU of 5la4 by Molmil
Crystal structure of apo human proheparanase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase, ...
著者Wu, L, Jin, Y, Davies, G.J.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Z
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BU of 5l9z by Molmil
Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355
分子名称: (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Jin, Y, Davies, G.J.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5JAW
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BU of 5jaw by Molmil
Structure of a beta galactosidase with inhibitor
分子名称: (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Beta-galactosidase, ...
著者Offen, W, Davies, G.
登録日2016-04-12
公開日2017-05-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
7ODJ
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BU of 7odj by Molmil
Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine
分子名称: (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Man5A, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2021-04-29
公開日2022-02-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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