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6SU7
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BU of 6su7 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline
分子名称: 3,4-Dichloroaniline, Glycosyltransferase
著者Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
登録日2019-09-13
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
6SU6
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BU of 6su6 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
登録日2019-09-13
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
6SXV
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BU of 6sxv by Molmil
GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6K6V
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BU of 6k6v by Molmil
Crystal structure of barley exohydrolaseI W434A 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2019-06-05
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
6KUF
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BU of 6kuf by Molmil
Crystal structure of barley exohydrolaseI W434A 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2019-09-02
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6L1J
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BU of 6l1j by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-09-29
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6LC5
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BU of 6lc5 by Molmil
Crystal structure of barley exohydrolaseI W434F in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-17
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6LBB
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BU of 6lbb by Molmil
Crystal structure of barley exohydrolaseI W434A 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 exohydrolase isoenzyme ExoI, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-14
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6LBV
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BU of 6lbv by Molmil
Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-15
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6XN0
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BU of 6xn0 by Molmil
Crystal structure of GH43_1 enzyme from Xanthomonas citri
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
6XN2
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BU of 6xn2 by Molmil
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
6XN1
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BU of 6xn1 by Molmil
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
6MD6
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BU of 6md6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Streltsov, V.A, Luang, S, Hrmova, M.
登録日2018-09-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
6MI1
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BU of 6mi1 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Streltsov, V.A, Luang, S, Hrmova, M.
登録日2018-09-18
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
5SYU
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BU of 5syu by Molmil
Crystal structure of Burkholderia pseudomallei KatG E242Q variant
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 (1.8 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
5SYH
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BU of 5syh by Molmil
Structure of D141A variant of B. pseudomallei KatG
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2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
5SYI
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BU of 5syi by Molmil
Structure of D141A variant of B. pseudomallei KatG complexed with INH
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2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 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
5SYK
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BU of 5syk by Molmil
Crystal structure of B. pseudomallei KatG treated with hydrogen peroxide
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Loewen, P.C.
登録日2016-08-11
公開日2016-09-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
5SYV
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BU of 5syv by Molmil
Crystal structure of Burkholderia pseudomallei KatG N240D variant
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 (1.75 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
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
5TXQ
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BU of 5txq by Molmil
Crystal structure of the A143D variant of catalase-peroxidase from B. pseudomallei
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ...
著者Loewen, P.C.
登録日2016-11-17
公開日2017-04-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 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
5V4O
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BU of 5v4o by Molmil
Crystal structure of the D141A/Q233E/N240D variant of catalase-peroxidase from B. pseudomallei
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ...
著者Loewen, P.C.
登録日2017-03-10
公開日2017-04-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 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
5V53
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BU of 5v53 by Molmil
Crystal structure of the D141A/Q233E/N240D variant of catalase-peroxidase from B. pseudomallei with acetate bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Loewen, P.C.
登録日2017-03-13
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 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
6IBR
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BU of 6ibr by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[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 (2.02 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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