2XWD
| X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN IN THE ACTIVE SITE | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, SULFATE ION, ... | Authors: | Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H. | Deposit date: | 2010-11-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues. Org.Biomol.Chem., 9, 2011
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2XWE
| X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6S-(N'-(N-OCTYL)IMINO)-6-THIONOJIRIMYCIN IN THE ACTIVE SITE | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, PHOSPHATE ION, ... | Authors: | Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H. | Deposit date: | 2010-11-02 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues. Org.Biomol.Chem., 9, 2011
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2WBG
| Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-02-27 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2WC3
| Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine | Descriptor: | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, BETA-GLUCOSIDASE A | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2VRJ
| Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine | Descriptor: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Aguilar, M, Gloster, T.M, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Llebaria, A, Casas, J, Egido-Gabas, M, Garcia Fernandez, J.M. | Deposit date: | 2008-04-09 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues. Chembiochem, 9, 2008
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2WC4
| Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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6TGG
| scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | Descriptor: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | Authors: | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2019-11-15 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment. Chem Sci, 11, 2020
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7OU8
| Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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7OU6
| Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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3WEZ
| Crystal structure of human beta-galactosidase in complex with NOEV | Descriptor: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-07-16 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
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3WF3
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4PF5
| Crystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose chain | Descriptor: | 1,2-ETHANEDIOL, 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole, Concanavalin-A, ... | Authors: | Lafite, P, Daniellou, R. | Deposit date: | 2014-04-28 | Release date: | 2014-12-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Synthesis of High-Mannose Oligosaccharide Analogues through Click Chemistry: True Functional Mimics of Their Natural Counterparts Against Lectins? Chemistry, 21, 2015
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2WCG
| X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
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3WF1
| Crystal structure of human beta-galactosidase in complex with 6S-NBI-GJ | Descriptor: | (3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-07-16 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
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3WF4
| Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-NBI-DGJ | Descriptor: | (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-07-16 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
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3WF2
| Crystal structure of human beta-galactosidase in complex with NBT-DGJ | Descriptor: | (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-07-16 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
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3WF0
| Crystal structure of human beta-galactosidase in complex with 6S-NBI-DGJ | Descriptor: | (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-07-16 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
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