4MOK
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![BU of 4mok by Molmil](/molmil-images/mine/4mok) | Pyranose 2-oxidase H167A mutant soaked with 3-fluorinated galactose (not bound) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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4MOS
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![BU of 4mos by Molmil](/molmil-images/mine/4mos) | Pyranose 2-oxidase H450G/V546C double mutant with 2-fluorinated galactose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, 2-deoxy-2-fluoro-beta-D-galactopyranose, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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3PL8
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![BU of 3pl8 by Molmil](/molmil-images/mine/3pl8) | Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Divne, C. | Deposit date: | 2010-11-14 | Release date: | 2011-04-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Regioselective control of Beta-d-glucose oxidation by pyranose 2-oxidase is intimately coupled to conformational degeneracy J.Mol.Biol., 409, 2011
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4QI4
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![BU of 4qi4 by Molmil](/molmil-images/mine/4qi4) | Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase, MtDH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4QI6
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![BU of 4qi6 by Molmil](/molmil-images/mine/4qi6) | Cellobiose dehydrogenase from Myriococcum thermophilum, MtCDH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4QI3
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![BU of 4qi3 by Molmil](/molmil-images/mine/4qi3) | Cytochrome domain of Myriococcum thermophilum cellobiose dehydrogenase, MtCYT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, MAGNESIUM ION, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4QI5
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![BU of 4qi5 by Molmil](/molmil-images/mine/4qi5) | Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase with bound cellobionolactam, MtDH | Descriptor: | (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4QI8
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![BU of 4qi8 by Molmil](/molmil-images/mine/4qi8) | Lytic polysaccharide monooxygenase 9F from Neurospora crassa, NcLPMO9F | Descriptor: | COPPER (II) ION, Lytic polysaccharide monooxygenase, NITRATE ION | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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5MM0
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![BU of 5mm0 by Molmil](/molmil-images/mine/5mm0) | Dolichyl phosphate mannose synthase in complex with GDP-mannose and Mn2+ (donor complex) | Descriptor: | CHLORIDE ION, Dolichol monophosphate mannose synthase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | Authors: | Gandini, R, Reichenbach, T, Tan, T.C, Divne, C. | Deposit date: | 2016-12-08 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for dolichylphosphate mannose biosynthesis. Nat Commun, 8, 2017
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5MLZ
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![BU of 5mlz by Molmil](/molmil-images/mine/5mlz) | Dolichyl phosphate mannose synthase in complex with GDP and Mg2+ | Descriptor: | CHLORIDE ION, Dolichol monophosphate mannose synthase, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gandini, R, Reichenbach, T, Tan, T.C, Divne, C. | Deposit date: | 2016-12-08 | Release date: | 2017-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for dolichylphosphate mannose biosynthesis. Nat Commun, 8, 2017
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5MM1
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![BU of 5mm1 by Molmil](/molmil-images/mine/5mm1) | Dolichyl phosphate mannose synthase in complex with GDP and dolichyl phosphate mannose | Descriptor: | Dolichol monophosphate mannose synthase, GUANOSINE-5'-DIPHOSPHATE, dolichyl phosphate mannose | Authors: | Gandini, R, Reichenbach, T, Tan, T.C, Divne, C. | Deposit date: | 2016-12-08 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for dolichylphosphate mannose biosynthesis. Nat Commun, 8, 2017
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4CAU
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![BU of 4cau by Molmil](/molmil-images/mine/4cau) | THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB | Descriptor: | ENVELOPE PROTEIN E, FAB 14C10 | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A. | Deposit date: | 2013-10-09 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody. Sci.Trans.Med, 4, 2012
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3J05
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![BU of 3j05 by Molmil](/molmil-images/mine/3j05) | Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab | Descriptor: | envelope protein | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A. | Deposit date: | 2011-04-01 | Release date: | 2012-07-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The structural basis for serotype-specific neutralization of dengue virus by a human antibody. Sci Transl Med, 4, 2012
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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5H37
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![BU of 5h37 by Molmil](/molmil-images/mine/5h37) | Cryo-EM structure of zika virus complexed with Fab C10 at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C10 IgG heavy chain variable region, C10 IgG light chain variable region, ... | Authors: | Zhang, S, Kostyuchenko, V, Ng, T.-S, Lim, X.-N, Ooi, J.S.G, Lambert, S, Tan, T.Y, Widman, D, Shi, J, Baric, R.S, Lok, S.-M. | Deposit date: | 2016-10-20 | Release date: | 2016-11-30 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Neutralization mechanism of a highly potent antibody against Zika virus Nat Commun, 7, 2016
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3BG7
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![BU of 3bg7 by Molmil](/molmil-images/mine/3bg7) | |
6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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3JXS
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![BU of 3jxs by Molmil](/molmil-images/mine/3jxs) | Crystal structure of XG34, an evolved xyloglucan binding CBM | Descriptor: | ACETATE ION, CALCIUM ION, Xylanase | Authors: | Divne, C, Tan, T.-C, Brumer, H, Gullfot, F. | Deposit date: | 2009-09-21 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of XG-34, an evolved xyloglucan-specific carbohydrate-binding module. Proteins, 78, 2009
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3K4M
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![BU of 3k4m by Molmil](/molmil-images/mine/3k4m) | Pyranose 2-oxidase Y456W mutant in complex with 2FG | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Divne, C, Tan, T.C. | Deposit date: | 2009-10-05 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase. Febs J., 277, 2010
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3LSH
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![BU of 3lsh by Molmil](/molmil-images/mine/3lsh) | Pyranose 2-oxidase T169A, monoclinic | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | Authors: | Divne, C, Tan, T.C, Spadiut, O. | Deposit date: | 2010-02-12 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase. J.Mol.Biol., 402, 2010
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4PTW
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![BU of 4ptw by Molmil](/molmil-images/mine/4ptw) | Halothermothrix orenii beta-glucosidase A, 2-deoxy-2-fluoro-glucose complex | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Glycoside hydrolase family 1, TETRAETHYLENE GLYCOL | Authors: | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | Deposit date: | 2014-03-11 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis. Appl.Microbiol.Biotechnol., 99, 2015
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4PTV
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![BU of 4ptv by Molmil](/molmil-images/mine/4ptv) | Halothermothrix orenii beta-glucosidase A, thiocellobiose complex | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CESIUM ION, Glycoside hydrolase family 1, ... | Authors: | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | Deposit date: | 2014-03-11 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis. Appl.Microbiol.Biotechnol., 99, 2015
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3K4C
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![BU of 3k4c by Molmil](/molmil-images/mine/3k4c) | Pyranose 2-oxidase H167A/T169G mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ... | Authors: | Divne, C, Tan, T.C. | Deposit date: | 2009-10-05 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A conserved active-site threonine is important for both sugar and flavin oxidations of pyranose 2-oxidase. J.Biol.Chem., 285, 2010
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3K4J
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![BU of 3k4j by Molmil](/molmil-images/mine/3k4j) | Pyranose 2-oxidase H450Q mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | Authors: | Divne, C, Tan, T.C. | Deposit date: | 2009-10-05 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase. Febs J., 277, 2010
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