1C5I
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![BU of 1c5i by Molmil](/molmil-images/mine/1c5i) | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | Deposit date: | 1999-11-24 | Release date: | 2000-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase. J.Mol.Biol., 299, 2000
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5FOO
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![BU of 5foo by Molmil](/molmil-images/mine/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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1BSI
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![BU of 1bsi by Molmil](/molmil-images/mine/1bsi) | HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ... | Authors: | Rydberg, E.H, Sidhu, G, Vo, H.C, Hewitt, J, Cote, H.C.F, Wang, Y, Numao, S, Macgillivray, R.T.A, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 1998-08-28 | Release date: | 1999-05-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cloning, mutagenesis, and structural analysis of human pancreatic alpha-amylase expressed in Pichia pastoris. Protein Sci., 8, 1999
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2GK1
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![BU of 2gk1 by Molmil](/molmil-images/mine/2gk1) | X-ray crystal structure of NGT-bound HexA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit alpha, ... | Authors: | Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N. | Deposit date: | 2006-03-31 | Release date: | 2006-05-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystallographic Structure of Human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss of G(M2) Ganglioside Hydrolysis. J.Mol.Biol., 359, 2006
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2GJX
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![BU of 2gjx by Molmil](/molmil-images/mine/2gjx) | Crystallographic structure of human beta-Hexosaminidase A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase alpha chain, ... | Authors: | Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N.G. | Deposit date: | 2006-03-31 | Release date: | 2006-06-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic structure of human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss
of GM2 Ganglioside Hydrolysis J.Mol.Biol., 359, 2006
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1CPU
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![BU of 1cpu by Molmil](/molmil-images/mine/1cpu) | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ... | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | Deposit date: | 1999-06-07 | Release date: | 1999-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques. Biochemistry, 39, 2000
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2JCK
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![BU of 2jck by Molmil](/molmil-images/mine/2jck) | Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in complex with UDP and 2 manganese ion | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | Deposit date: | 2006-12-26 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis. J.Mol.Biol., 369, 2007
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2JCL
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![BU of 2jcl by Molmil](/molmil-images/mine/2jcl) | Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in the absence of ligands | Descriptor: | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, SULFATE ION | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | Deposit date: | 2006-12-26 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis. J.Mol.Biol., 369, 2007
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1EXP
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![BU of 1exp by Molmil](/molmil-images/mine/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
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![BU of 3lb9 by Molmil](/molmil-images/mine/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
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![BU of 3lmy by Molmil](/molmil-images/mine/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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2P2V
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![BU of 2p2v by Molmil](/molmil-images/mine/2p2v) | Crystal structure analysis of monofunctional alpha-2,3-sialyltransferase Cst-I from Campylobacter jejuni | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase, CHLORIDE ION, ... | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2007-03-07 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms. Biochemistry, 46, 2007
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2P56
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![BU of 2p56 by Molmil](/molmil-images/mine/2p56) | Crystal structure of alpha-2,3-sialyltransferase from Campylobacter jejuni in apo form | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2007-03-14 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms. Biochemistry, 46, 2007
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4D6C
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![BU of 4d6c by Molmil](/molmil-images/mine/4d6c) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4CN6
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![BU of 4cn6 by Molmil](/molmil-images/mine/4cn6) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant with maltose bound | Descriptor: | ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S. | Deposit date: | 2014-01-21 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate. Biochemistry, 53, 2014
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4D6D
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![BU of 4d6d by Molmil](/molmil-images/mine/4d6d) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X02 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6G
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![BU of 4d6g by Molmil](/molmil-images/mine/4d6g) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (L19 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D71
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![BU of 4d71 by Molmil](/molmil-images/mine/4d71) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-19 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6J
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![BU of 4d6j by Molmil](/molmil-images/mine/4d6j) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6E
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![BU of 4d6e by Molmil](/molmil-images/mine/4d6e) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X01 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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3SCW
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![BU of 3scw by Molmil](/molmil-images/mine/3scw) | Crystal Structure of Rice BGlu1 E386G/Y341A Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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4D72
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![BU of 4d72 by Molmil](/molmil-images/mine/4d72) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSIDE HYDROLASE, ... | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-19 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6F
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![BU of 4d6f by Molmil](/molmil-images/mine/4d6f) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6I
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![BU of 4d6i by Molmil](/molmil-images/mine/4d6i) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A L19 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6H
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![BU of 4d6h by Molmil](/molmil-images/mine/4d6h) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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