2F2H
| Structure of the YicI thiosugar Michaelis complex | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, GLYCEROL, ... | Authors: | Kim, Y.-W, Lovering, A.L, Strynadka, N.C.J, Withers, S.G. | Deposit date: | 2005-11-16 | Release date: | 2006-02-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Expanding the Thioglycoligase Strategy to the Synthesis of alpha-linked Thioglycosides Allows Structural Investigation of the Parent Enzyme/Substrate Complex J.Am.Chem.Soc., 128, 2006
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6Q1P
| Glucocerebrosidase in complex with pharmacological chaperone norIMX8 | Descriptor: | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | Deposit date: | 2019-08-05 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models. To Be Published
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6Q1N
| Glucocerebrosidase in complex with pharmacological chaperone IMX8 | Descriptor: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | Deposit date: | 2019-08-05 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.526 Å) | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models. To Be Published
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5FOO
| 6-phospho-beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ... | Authors: | Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases. FEBS Lett., 590, 2016
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1EXP
| BETA-1,4-GLYCANASE CEX-CD | Descriptor: | BETA-1,4-D-GLYCANASE CEX-CD, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | Authors: | White, A, Tull, D, Johns, K.L, Withers, S.G, Rose, D.R. | Deposit date: | 1996-01-11 | Release date: | 1997-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic observation of a covalent catalytic intermediate in a beta-glycosidase. Nat.Struct.Biol., 3, 1996
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3LB9
| Crystal structure of the B. circulans cpA123 circular permutant | Descriptor: | Endo-1,4-beta-xylanase | Authors: | D'Angelo, I, Reitinger, S, Ludwiczek, M, Strynadka, N, Withers, S.G, Mcintosh, L.P. | Deposit date: | 2010-01-08 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Circular permutation of Bacillus circulans xylanase: a kinetic and structural study. Biochemistry, 49, 2010
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3LMY
| The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G. | Deposit date: | 2010-02-01 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine To be Published
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1XCX
| Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose, Alpha-amylase, ... | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-03 | Release date: | 2004-12-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts Biochemistry, 44, 2005
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1XD0
| Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-03 | Release date: | 2004-12-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts Biochemistry, 44, 2005
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1XCW
| Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, ... | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-03 | Release date: | 2004-12-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts Biochemistry, 44, 2005
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1XH2
| Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XSI
| Structure of a Family 31 alpha glycosidase | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETIC ACID, Putative family 31 glucosidase yicI, ... | Authors: | Lovering, A.L, Lee, S.S, Kim, Y.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2004-10-19 | Release date: | 2004-10-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic and Structural Analysis of a Family 31 alpha-Glycosidase and Its Glycosyl-enzyme Intermediate J.Biol.Chem., 280, 2005
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1UQT
| Trehalose-6-phosphate from E. coli bound with UDP-2-fluoro glucose. | Descriptor: | ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Gibson, R.P, Tarling, C.A, Roberts, S, Withers, S.G, Davies, G.J. | Deposit date: | 2003-10-20 | Release date: | 2003-12-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution. J. Biol. Chem., 279, 2004
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1UQU
| Trehalose-6-phosphate from E. coli bound with UDP-glucose. | Descriptor: | ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Gibson, R.P, Tarling, C.A, Roberts, S, Withers, S.G, Davies, G.J. | Deposit date: | 2003-10-20 | Release date: | 2003-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution. J. Biol. Chem., 279, 2004
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1XD1
| Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ... | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-03 | Release date: | 2004-12-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts Biochemistry, 44, 2005
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1XH1
| Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, pancreatic, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XH0
| Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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4KGJ
| Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-fluoro-alpha-L-idopyranosyluronic acid fluoride, ... | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-04-29 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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4KH2
| Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride | Descriptor: | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic 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: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-04-29 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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1XGZ
| Structure of the N298S variant of human pancreatic alpha-amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, pancreatic, ... | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | Deposit date: | 2004-09-17 | Release date: | 2005-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase PROTEIN SCI., 14, 2005
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1XSK
| Structure of a Family 31 alpha glycosidase glycosyl-enzyme intermediate | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5(R)-fluoro-beta-D-xylopyranose, Putative family 31 glucosidase yicI, ... | Authors: | Lovering, A.L, Lee, S.S, Kim, Y.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2004-10-19 | Release date: | 2004-11-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic and Structural Analysis of a Family 31 {alpha}-Glycosidase and Its Glycosyl-enzyme Intermediate J.Biol.Chem., 280, 2005
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1XSJ
| Structure of a Family 31 alpha glycosidase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative family 31 glucosidase yicI | Authors: | Lovering, A.L, Lee, S.S, Kim, Y.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2004-10-19 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic and Structural Analysis of a Family 31 alpha-Glycosidase and Its Glycosyl-enzyme Intermediate J.Biol.Chem., 280, 2005
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4MJ4
| Human iduronidase apo structure P21 form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ... | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-09-03 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.172 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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4MJ2
| Crystal structure of apo-iduronidase in the R3 form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-09-03 | Release date: | 2013-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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1UP4
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