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6YJS
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BU of 6yjs by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
4JIE
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BU of 4jie by Molmil
Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL, ...
Authors:Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R.
Deposit date:2013-03-05
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
6YJT
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BU of 6yjt by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJQ
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BU of 6yjq by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A,Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YQH
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BU of 6yqh by Molmil
GH146 beta-L-arabinofuranosidase bound to covalent inhibitor
Descriptor: (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-04-17
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YJV
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BU of 6yjv by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJU
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BU of 6yju by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJR
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BU of 6yjr by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
4JHO
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BU of 4jho by Molmil
Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL
Authors:Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R.
Deposit date:2013-03-05
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
2IUF
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BU of 2iuf by Molmil
The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W.
Deposit date:2006-06-02
Release date:2006-07-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
2IQF
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BU of 2iqf by Molmil
Crystal structure of Helicobacter pylori catalase compound I
Descriptor: ACETATE ION, Catalase, OXYGEN ATOM, ...
Authors:Loewen, P.C, Carpena, X, Fita, I.
Deposit date:2006-10-13
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
J.Am.Chem.Soc., 129, 2007
8B0C
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BU of 8b0c by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB158
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ...
Authors:Armstrong, Z, Davies, G.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0B
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BU of 8b0b by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB151
Descriptor: (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, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0D
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BU of 8b0d by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0E
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BU of 8b0e by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
6EQL
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BU of 6eql by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant complexed with manganese and UDP
Descriptor: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ...
Authors:Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W.
Deposit date:2017-10-13
Release date:2017-12-20
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
6EQJ
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BU of 6eqj by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form
Descriptor: 1,2-ETHANEDIOL, Glycogenin-1
Authors:Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W.
Deposit date:2017-10-13
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
8I5R
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BU of 8i5r by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5O
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BU of 8i5o by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum
Descriptor: CALCIUM ION, GLYCEROL, beta-glucosidase
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5T
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BU of 8i5t by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5S
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BU of 8i5s by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside
Descriptor: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5P
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BU of 8i5p by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5Q
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BU of 8i5q by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5U
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BU of 8i5u by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
6SXU
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BU of 6sxu by Molmil
GH51 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020

219869

數據於2024-05-15公開中

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