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5SYW
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BU of 5syw by Molmil
Crystal structure of Burkhoderia pseudomallei KatG variant Q233E
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-12
公開日2016-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5SYJ
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BU of 5syj by Molmil
Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-11
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
5NPE
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BU of 5npe by Molmil
Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358
分子名称: (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-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2024-01-17
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
5N0F
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BU of 5n0f by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManSIFG
分子名称: Alpha-1,6-mannanase, [(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside
著者Jin, Y, Williams, S, Davies, G.
登録日2017-02-02
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5N6S
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BU of 5n6s by Molmil
Thermotoga maritima family 1 Glycoside hydrolase complexed with Carba-Cyclophellitol transition state mimic
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-glucosidase A, ...
著者Offen, W, Davies, G.
登録日2017-02-16
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
5NE5
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BU of 5ne5 by Molmil
Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ...
著者Males, A, Davies, G.J.
登録日2017-03-09
公開日2017-03-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach.
Chembiochem, 18, 2017
5NPC
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BU of 5npc by Molmil
Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with unreacted alpha Cyclophellitol Cyclosulfate probe ME647
分子名称: (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-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, 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2024-01-17
実験手法X-RAY DIFFRACTION (1.96 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
5NPB
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BU of 5npb by Molmil
Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Cyclosulfate probe ME647
分子名称: OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, SULFATE 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2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5N6T
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BU of 5n6t by Molmil
Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic
分子名称: 1,2-ETHANEDIOL, Beta-glucosidase A, CHLORIDE ION, ...
著者Offen, W, Davies, G.
登録日2017-02-16
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
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2024-01-17
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
5M77
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BU of 5m77 by Molmil
a GH76 family enzyme structure
分子名称: 1,2-ETHANEDIOL, 1-thio-alpha-D-mannopyranose-(1-6)-[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside, Alpha-1,6-mannanase
著者Jin, Y, Williams, S, Davies, G.
登録日2016-10-26
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5OCE
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BU of 5oce by Molmil
THE MOLECULAR MECHANISM OF SUBSTRATE RECOGNITION AND CATALYSIS OF THE MEMBRANE ACYLTRANSFERASE PatA -- Complex of PatA with palmitate, mannose, and palmitoyl-6-mannose
分子名称: PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate, ...
著者Albesa-Jove, D, Tersa, M, Guerin, M.E.
登録日2017-06-30
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria.
ACS Chem. Biol., 13, 2018
6JGR
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BU of 6jgr by Molmil
Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JG6
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BU of 6jg6 by Molmil
Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGT
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BU of 6jgt by Molmil
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGN
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BU of 6jgn by Molmil
Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JG7
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BU of 6jg7 by Molmil
Crystal structure of barley exohydrolaseI W286F in complex with methyl 2-thio-beta-sophoroside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGC
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BU of 6jgc by Molmil
Crystal structure of barley exohydrolaseI W286Y mutant in complex with glucose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGS
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BU of 6jgs by Molmil
Crystal structure of barley exohydrolaseI W434Y mutant in complex with 4I,4III,4V-S-trithiocellohexaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGK
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BU of 6jgk by Molmil
Crystal structure of barley exohydrolaseI W434F mutant in complex with 4I,4III,4V-S-trithiocellohexaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JG2
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BU of 6jg2 by Molmil
Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGD
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BU of 6jgd by Molmil
Crystal structure of barley exohydrolaseI W286Y mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGP
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BU of 6jgp by Molmil
Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 6-thio-beta-gentiobioside.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022

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