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5CXP
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BU of 5cxp by Molmil
X-ray crystallographic protein structure of the glycoside hydrolase family 30 subfamily 8 xylanase, Xyn30A, from Clostridium acetobutylicum
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, Possible xylan degradation enzyme (Glycosyl hydrolase family 30-like domain and Ricin B-like domain), ...
Authors:St John, F.J, Pozharski, E, Hurlbert, J.C.
Deposit date:2015-07-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a GH30 xylanase
To Be Published
7NWV
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BU of 7nwv by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe
Descriptor: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2021-03-17
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
6MOZ
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BU of 6moz by Molmil
Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor
Descriptor: (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Patterson-Orazem, A.C, Lieberman, R.L.
Deposit date:2018-10-05
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of beta-glucocerebrosidase inhibition.
Bioorg.Chem., 86, 2019
1Y7V
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BU of 1y7v by Molmil
X-ray structure of human acid-beta-glucosidase covalently bound to conduritol B epoxide
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
Authors:Premkumar, L, Sawkar, A.R, Boldin-Adamsky, S, Toker, L, Silman, I, Kelly, J.W, Futerman, A.H, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
Deposit date:2004-12-10
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of human acid-beta-glucosidase covalently bound to conduritol-B-epoxide. Implications for Gaucher disease.
J.Biol.Chem., 280, 2005
2F61
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BU of 2f61 by Molmil
Crystal structure of partially deglycosylated acid beta-glucosidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid beta-glucosidase, ...
Authors:Hegde, R.S, Grabowski, G.
Deposit date:2005-11-28
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Analyses of Variant Acid beta-Glucosidases: EFFECTS OF GAUCHER DISEASE MUTATIONS.
J.Biol.Chem., 281, 2006
1NOF
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BU of 1nof by Molmil
THE FIRST CRYSTALLOGRAPHIC STRUCTURE OF A XYLANASE FROM GLYCOSYL HYDROLASE FAMILY 5: IMPLICATIONS FOR CATALYSIS
Descriptor: ACETATE ION, xylanase
Authors:Larson, S.B, Day, J, McPherson, A, Barba De La Rosa, A.P, Keen, N.T.
Deposit date:2003-01-16
Release date:2003-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:First crystallographic structure of a xylanase from glycoside hydrolase family 5: implications for catalysis.
Biochemistry, 42, 2003
1OGS
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BU of 1ogs by Molmil
human acid-beta-glucosidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
Authors:Dvir, H, Harel, M, McCarthy, A.A, Toker, L, Silman, I, Futerman, A.H, Sussman, J.L.
Deposit date:2003-05-13
Release date:2003-07-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structure of Human Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Embo Rep., 4, 2003
2J25
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BU of 2j25 by Molmil
Partially deglycosylated glucoceramidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ...
Authors:Brumshtein, B, Wormald, M.R, Silman, I, Futerman, A.H, Sussman, J.L.
Deposit date:2006-08-16
Release date:2006-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Comparison of Differently Glycosylated Forms of Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Acta Crystallogr.,Sect.D, 62, 2006
3RIK
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BU of 3rik by Molmil
The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease
Descriptor: (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
Authors:Orwig, S.D, Lieberman, R.L.
Deposit date:2011-04-13
Release date:2012-03-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
3RIL
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BU of 3ril by Molmil
The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease
Descriptor: (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
Authors:Orwig, S.D, Lieberman, R.L.
Deposit date:2011-04-13
Release date:2012-03-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
8AWK
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BU of 8awk by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride
Descriptor: (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWR
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BU of 8awr by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride
Descriptor: (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AX3
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BU of 8ax3 by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride
Descriptor: (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
5LVX
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BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
2NSX
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BU of 2nsx by Molmil
Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
Authors:Lieberman, R.L, Petsko, G.A, Ringe, D.
Deposit date:2006-11-06
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
2NT1
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BU of 2nt1 by Molmil
Structure of acid-beta-glucosidase at neutral pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
Authors:Lieberman, R.L, Petsko, G.A, Ringe, D.
Deposit date:2006-11-06
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
2NT0
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BU of 2nt0 by Molmil
Acid-beta-glucosidase low pH, glycerol bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ...
Authors:Lieberman, R.L, Petsko, G.A, Ringe, D.
Deposit date:2006-11-06
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
5NGL
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BU of 5ngl by Molmil
The endo-beta1,6-glucanase BT3312
Descriptor: 1-DEOXYNOJIRIMYCIN, Glucosylceramidase, SODIUM ION, ...
Authors:Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H.
Deposit date:2017-03-17
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
5NGK
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BU of 5ngk by Molmil
The endo-beta1,6-glucanase BT3312
Descriptor: Glucosylceramidase
Authors:Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H.
Deposit date:2017-03-17
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
8IDP
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BU of 8idp by Molmil
Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T.
Deposit date:2023-02-14
Release date:2023-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
Proteins, 91, 2023
8IDQ
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BU of 8idq by Molmil
Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T.
Deposit date:2023-02-14
Release date:2023-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
Proteins, 91, 2023
8P41
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BU of 8p41 by Molmil
Crystal structure of glucocerebrosidase in complex with allosteric activator
Descriptor: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Schulze, M.-S.
Deposit date:2023-05-18
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 2024
8P3E
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BU of 8p3e by Molmil
Crystal structure of glucocerebrosidase in complex with allosteric activator
Descriptor: 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Schulze, M.-S.
Deposit date:2023-05-17
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 2024
6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Descriptor: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
Deposit date:2019-10-03
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020

 

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