Author results

1GUV
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STRUCTURE OF HUMAN CHITOTRIOSIDASE
Descriptor:CHITOTRIOSIDASE, 1,2-ETHANEDIOL
Authors:Von Moeller, H., Houston, D., Boot, R.G., Aerts, J.M.F.G., Van Aalten, D.M.F.
Deposit date:2002-01-31
Release date:2003-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of Human Chitotriosidase - Implications for Specific Inhibitor Design and Function of Mammalian Chitinase-Like Lectins
J.Biol.Chem., 277, 2002
1HKI
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CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B
Descriptor:CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE, N-ACETYL-D-GLUCOSAMINE
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Sakuda, S., Van Aalten, D.M.F.
Deposit date:2003-03-10
Release date:2004-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003
1HKJ
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CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH METHYLALLOSAMIDIN
Descriptor:CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE, N-ACETYL-D-ALLOSAMINE, ...
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Sakuda, S., Van Aalten, D.M.F.
Deposit date:2003-03-10
Release date:2004-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003
1HKK
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HIGH RESOULTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH ALLOSAMIDIN
Descriptor:CHITOTRIOSIDASE-1, N-ACETYL-D-ALLOSAMINE, ALLOSAMIZOLINE, ...
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Sakuda, S., Van Aalten, D.M.F.
Deposit date:2003-03-10
Release date:2004-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase.
J.Biol.Chem., 278, 2003
1HKM
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HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH DEMETHYLALLOSAMIDIN
Descriptor:CHITOTRIOSIDASE, N-ACETYL-D-ALLOSAMINE, METHYL N-ACETYL ALLOSAMINE
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Sakuda, S., Van Aalten, D.M.F.
Deposit date:2003-03-10
Release date:2004-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003
1W9P
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SPECIFICITY AND AFFINITY OF NATURAL PRODUCT CYCLOPENTAPEPTIDE INHIBITORS AGAINST ASPERGILLUS FUMIGATUS, HUMAN AND BACTERIAL CHITINASEFRA
Descriptor:CHITINASE, SULFATE ION
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Hodkinson, M., Adams, D.J., Shiomi, K., Omura, S., Van Aalten, D.M.F.
Deposit date:2004-10-15
Release date:2004-10-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W9U
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SPECIFICITY AND AFFNITY OF NATURAL PRODUCT CYCLOPENTAPEPTIDE INHIBITOR ARGADIN AGAINST ASPERGILLUS FUMIGATUS CHITINASE
Descriptor:CHITINASE, ARGADIN, SULFATE ION
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Hodkinson, M., Adams, D.J., Shiomi, K., Omura, S., van Aalten, D.M.F.
Deposit date:2004-10-19
Release date:2004-11-17
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W9V
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SPECIFICITY AND AFFINITY OF NATURAL PRODUCT CYCLOPENTAPEPTIDE ARGIFIN AGAINST ASPERGILLUS FUMIGATUS
Descriptor:CHITINASE, ARGIFIN, SULFATE ION
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Hodkinson, M., Adams, D.J., Shiomi, K., Omura, S., van Aalten, D.M.F.
Deposit date:2004-10-19
Release date:2005-01-10
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WAW
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SPECIFICITY AND AFFINITY OF NATURAL PRODUCT CYCLOPENTAPEPTIDE INHIBITOR ARGADIN AGAINST HUMAN CHITINASE
Descriptor:CHITOTRIOSIDASE 1, ARGADIN, GLYCEROL, ...
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Hodkinson, M., Adams, D.J., Shiomi, K., Omura, S., van Aalten, D.M.F.
Deposit date:2004-10-28
Release date:2005-01-28
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WB0
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SPECIFICITY AND AFFINITY OF NATURAL PRODUCT CYCLOPENTAPEPTIDE INHIBITOR ARGIFIN AGAINST HUMAN CHITINASE
Descriptor:CHITOTRIOSIDASE 1, ARGIFIN, ISOPROPYL ALCOHOL, ...
Authors:Rao, F.V., Houston, D.R., Boot, R.G., Aerts, J.M.F.G., Hodkinson, M., Adams, D.J., Shiomi, K., Omura, S., Van Aalten, D.M.F.
Deposit date:2004-10-29
Release date:2005-01-28
Last modified:2012-11-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
6F4C
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NICOTIANA BENTHAMIANA ALPHA-GALACTOSIDASE
Descriptor:alpha-galactosidase
Authors:Kytidou, K., Aerts, J.M.F.G., Pannu, N.S.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease.
J. Biol. Chem., 293, 2018
4WSJ
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CRYSTAL STRUCTURE OF A BACTERIAL FUCODIASE IN COMPLEX WITH 1-((1R,2R,3R,4R,5R,6R)-2,3,4-TRIHYDROXY-5-METHYL-7-AZABICYCLO[4.1.0]HEPTAN-7-YL)ETHAN-1-ONE
Descriptor:Alpha-L-fucosidase, SULFATE ION, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
Authors:Davies, G.J., Wright, D.W.
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
4WSK
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CRYSTAL STRUCTURE OF A BACTERIAL FUCOSIDASE WITH PHENYL((1R,2R,3R,4R,5R,6R)-2,3,4-TRIHYDROXY-5-METHYL-7-AZABICYCLO[4.1.0]HEPTAN-7-YL)METHANONE
Descriptor:Alpha-L-fucosidase, SULFATE ION, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
Authors:Davies, G.J.
Deposit date:2014-10-28
Release date:2014-11-12
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
5G0Q
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BETA-GLUCURONIDASE WITH AN ACTIVITY-BASED PROBE (N-ALKYL CYCLOPHELLITOL AZIRIDINE) BOUND
Descriptor:BETA-GLUCURONIDASE, (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, GLYCEROL
Authors:Jin, Y., Wu, L., Jiang, J.B., Overkleeft, H.S., Davies, G.J.
Deposit date:2016-03-22
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5JAW
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STRUCTURE OF A BETA GALACTOSIDASE WITH INHIBITOR
Descriptor:Beta-galactosidase, putative, bgl35A, ...
Authors:Offen, W., Davies, G.
Deposit date:2016-04-12
Release date:2017-05-10
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
5L77
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A GLYCOSIDE HYDROLASE MUTANT WITH AN UNREACTED ACTIVITY BASED PROBE BOUND
Descriptor:beta-glucuronidase, PHOSPHATE ION, (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, ...
Authors:Jin, Y., Wu, L., Jiang, J.B., Overkleeft, H.S., Davies, G.J.
Deposit date:2016-06-02
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Y
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CRYSTAL STRUCTURE OF HUMAN HEPARANASE, IN COMPLEX WITH GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Z
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CRYSTAL STRUCTURE OF HUMAN HEPARANASE NUCLEOPHILE MUTANT (E343Q), IN COMPLEX WITH UNREACTED GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, 1,2-ETHANEDIOL, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA4
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CRYSTAL STRUCTURE OF APO HUMAN PROHEPARANASE
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA7
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CRYSTAL STRUCTURE OF HUMAN PROHEPARANASE, IN COMPLEX WITH GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5N6S
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THERMOTOGA MARITIMA FAMILY 1 GLYCOSIDE HYDROLASE COMPLEXED WITH CARBA-CYCLOPHELLITOL TRANSITION STATE MIMIC
Descriptor:Beta-glucosidase A, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Offen, W., Davies, G.
Deposit date:2017-02-16
Release date:2017-03-01
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
5N6T
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THERMOTOGA MARITIMA FAMILY 1 GLYCOSIDE HYDROLASE COMPLEXED WITH A CYCLOPHELLITOL ANALOGUE TRANSITION STATE MIMIC
Descriptor:Beta-glucosidase A, CHLORIDE ION, 1,2-ETHANEDIOL, ...
Authors:Offen, W., Davies, G.
Deposit date:2017-02-16
Release date:2017-03-01
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
J. Am. Chem. Soc., 139, 2017
5NCX
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CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH AN COVALENT INHIBITOR
Descriptor:Glucosylceramidase, ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide, CALCIUM ION, ...
Authors:Davies, G.J., Breen, I.Z.
Deposit date:2017-03-06
Release date:2017-10-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Fluorescence Polarization Activity-Based Protein Profiling Assay in the Discovery of Potent, Selective Inhibitors for Human Nonlysosomal Glucosylceramidase.
J. Am. Chem. Soc., 139, 2017
5NPB
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CRYSTAL STRUCTURE OF CJAGD31B (ALPHA-TRANSGLUCOSYLASE FROM GLYCOSIDE HYDROLASE FAMILY 31) IN COMPLEX WITH ALPHA CYCLOPHELLITOL CYCLOSULFATE PROBE ME647
Descriptor:Oligosaccharide 4-alpha-D-glucosyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Wu, L., Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5NPC
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CRYSTAL STRUCTURE OF D412N NUCLEOPHILE MUTANT CJAGD31B (ALPHA-TRANSGLUCOSYLASE FROM GLYCOSIDE HYDROLASE FAMILY 31) IN COMPLEX WITH UNREACTED ALPHA CYCLOPHELLITOL CYCLOSULFATE PROBE ME647
Descriptor:Oligosaccharide 4-alpha-D-glucosyltransferase, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Wu, L., Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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