6YX0
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![BU of 6yx0 by Molmil](/molmil-images/mine/6yx0) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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6YX2
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![BU of 6yx2 by Molmil](/molmil-images/mine/6yx2) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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1QY0
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![BU of 1qy0 by Molmil](/molmil-images/mine/1qy0) | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | Descriptor: | CADMIUM ION, GLYCEROL, Major urinary protein, ... | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | Deposit date: | 2003-09-09 | Release date: | 2004-02-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc., 126, 2004
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1QY2
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![BU of 1qy2 by Molmil](/molmil-images/mine/1qy2) | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | Descriptor: | 2-ISOPROPYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | Deposit date: | 2003-09-09 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc., 126, 2004
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1QY1
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![BU of 1qy1 by Molmil](/molmil-images/mine/1qy1) | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | Deposit date: | 2003-09-09 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc., 126, 2004
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5AG2
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![BU of 5ag2 by Molmil](/molmil-images/mine/5ag2) | SOD-3 azide complex | Descriptor: | ACETATE ION, AZIDE ION, MALONATE ION, ... | Authors: | Hunter, G.J, Trinh, C.H, Bonetta, R, Stewart, E.E, Cabelli, D.E, Hunter, T. | Deposit date: | 2015-01-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Structure of the Caenorhabditis Elegans Manganese Superoxide Dismutase Mnsod-3-Azide Complex. Protein Sci., 24, 2015
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5A8G
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![BU of 5a8g by Molmil](/molmil-images/mine/5a8g) | Crystal structure of the wild-type Staphylococcus aureus N- acetylneurminic acid lyase in complex with fluoropyruvate | Descriptor: | N-ACETYLNEURAMINATE LYASE | Authors: | Stockwell, J, Daniels, A.D, Windle, C.L, Harman, T, Woodhall, T, Trinh, C.H, Lebel, T, Pearson, A.R, Mulholland, K, Berry, A, Nelson, A. | Deposit date: | 2015-07-15 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Evaluation of Fluoropyruvate as Nucleophile in Reactions Catalysed by N-Acetyl Neuraminic Acid Lyase Variants: Scope, Limitations and Stereoselectivity. Org.Biomol.Chem., 14, 2016
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6YWZ
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![BU of 6ywz by Molmil](/molmil-images/mine/6ywz) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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4AH7
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![BU of 4ah7 by Molmil](/molmil-images/mine/4ah7) | Structure of Wild Type Stapylococcus aureus N-acetylneuraminic acid lyase in complex with pyruvate | Descriptor: | N-ACETYLNEURAMINATE LYASE | Authors: | Timms, N, Poyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Pearson, A.R, Berry, A. | Deposit date: | 2012-02-03 | Release date: | 2013-01-23 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy. Chembiochem, 14, 2013
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4AUE
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![BU of 4aue by Molmil](/molmil-images/mine/4aue) | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-17 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4B40
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![BU of 4b40 by Molmil](/molmil-images/mine/4b40) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-07-27 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase Acta Crystallogr.,Sect.F, 69, 2013
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6YX1
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![BU of 6yx1 by Molmil](/molmil-images/mine/6yx1) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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2WNN
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![BU of 2wnn by Molmil](/molmil-images/mine/2wnn) | Structure of wild type E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21 | Descriptor: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, SODIUM ION | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-07-13 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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2WNZ
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![BU of 2wnz by Molmil](/molmil-images/mine/2wnz) | Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21 crystal form I | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-ETHOXYETHANOL, LACTIC ACID, ... | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-07-21 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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2WNQ
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![BU of 2wnq by Molmil](/molmil-images/mine/2wnq) | Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in space group P21 | Descriptor: | CHLORIDE ION, N-ACETYLNEURAMINATE LYASE | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-07-17 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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2WPB
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![BU of 2wpb by Molmil](/molmil-images/mine/2wpb) | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I | Descriptor: | (2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE, N-ACETYLNEURAMINATE LYASE | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-08-03 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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2WKJ
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![BU of 2wkj by Molmil](/molmil-images/mine/2wkj) | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121 | Descriptor: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | Authors: | Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R. | Deposit date: | 2009-06-11 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009
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2WO5
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![BU of 2wo5 by Molmil](/molmil-images/mine/2wo5) | Structure of wild type E. coli N-acetylneuraminic acid lyase in space group P21 crystal form I | Descriptor: | N-ACETYLNEURAMINATE LYASE | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-07-21 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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5A36
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![BU of 5a36 by Molmil](/molmil-images/mine/5a36) | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-05-27 | Release date: | 2016-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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5A37
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![BU of 5a37 by Molmil](/molmil-images/mine/5a37) | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | HUMAN ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-05-27 | Release date: | 2016-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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5A4B
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![BU of 5a4b by Molmil](/molmil-images/mine/5a4b) | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | HUMAN ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-06-05 | Release date: | 2016-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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5A38
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![BU of 5a38 by Molmil](/molmil-images/mine/5a38) | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-05-27 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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4AUN
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![BU of 4aun by Molmil](/molmil-images/mine/4aun) | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-18 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4AUM
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![BU of 4aum by Molmil](/molmil-images/mine/4aum) | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-18 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4B7A
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![BU of 4b7a by Molmil](/molmil-images/mine/4b7a) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CATALASE-PHENOL OXIDASE, ... | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-08-17 | Release date: | 2013-09-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Probing the Active Center of Catalase-Phenol Oxidase from Scytalidium Thermophilum To be Published
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