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7PR8
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BU of 7pr8 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor GR109
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PRT
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BU of 7prt by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor CB678
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-arabino-hexopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, ...
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-22
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PRB
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BU of 7prb by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor GR109
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSI
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BU of 7psi by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSJ
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BU of 7psj by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSK
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BU of 7psk by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSH
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BU of 7psh by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum at 1.24 Angstrom resolution
分子名称: Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR9
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BU of 7pr9 by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
5JTS
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BU of 5jts by Molmil
Structure of a beta-1,4-mannanase, SsGH134.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
登録日2016-05-09
公開日2016-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
5L7V
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BU of 5l7v by Molmil
Crystal Structure of BvGH123 with bond transition state analog Galthiazoline.
分子名称: (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, glycoside hydrolase
著者Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J.
登録日2016-06-03
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 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
182D
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BU of 182d by Molmil
DNA-NOGALAMYCIN INTERACTIONS: THE CRYSTAL STRUCTURE OF D(TGATCA) COMPLEXED WITH NOGALAMYCIN
分子名称: DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN
著者Smith, C.K, Davies, G.J, Dodson, E.J, Moore, M.H.
登録日1994-07-28
公開日1994-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DNA-nogalamycin interactions: the crystal structure of d(TGATCA) complexed with nogalamycin.
Biochemistry, 34, 1995
1BVW
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BU of 1bvw by Molmil
CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Varrot, A, Davies, G.J, Schulein, M.
登録日1998-09-19
公開日1999-09-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of the catalytic core domain of the family 6 cellobiohydrolase II, Cel6A, from Humicola insolens, at 1.92 A resolution.
Biochem.J., 337, 1999
5E9C
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BU of 5e9c by Molmil
Crystal structure of human heparanase in complex with heparin tetrasaccharide dp4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wu, L, Davies, G.J.
登録日2015-10-15
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
5E8M
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BU of 5e8m by Molmil
Crystal structure of human heparanase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wu, L, Davies, G.J.
登録日2015-10-14
公開日2015-11-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
5FKQ
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BU of 5fkq by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
著者Attia, M, Stepper, J, Davies, G.J, Brumer, H.
登録日2015-10-19
公開日2015-11-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
5G0M
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BU of 5g0m by Molmil
beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound
分子名称: (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-03-21
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family
To be Published
5FOO
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BU of 5foo by Molmil
6-phospho-beta-glucosidase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ...
著者Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J.
登録日2015-11-24
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases.
FEBS Lett., 590, 2016
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
5FKT
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BU of 5fkt by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
著者Attia, M, Stepper, J, Davies, G.J, Brumer, H.
登録日2015-10-19
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
2CDO
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BU of 2cdo by Molmil
structure of agarase carbohydrate binding module in complex with neoagarohexaose
分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
著者Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
登録日2006-01-25
公開日2006-02-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
2CN3
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BU of 2cn3 by Molmil
Crystal Structures of Clostridium thermocellum Xyloglucanase
分子名称: BETA-1,4-XYLOGLUCAN HYDROLASE, CALCIUM ION, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Martinez-Fleites, C, Taylor, E.J, Guerreiro, C.I.P.D, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Baumann, M.J, Brumer, H, Davies, G.J.
登録日2006-05-17
公開日2006-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation
J.Biol.Chem., 281, 2006
2CEQ
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BU of 2ceq by Molmil
Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole
分子名称: ACETATE ION, BETA-GALACTOSIDASE, GLUCOIMIDAZOLE
著者Gloster, T.M, Moracci, M, Vasella, A, Davies, G.J.
登録日2006-02-10
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006

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