5U5W
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![BU of 5u5w by Molmil](/molmil-images/mine/5u5w) | CcP gateless cavity | Descriptor: | 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1CPF
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![BU of 1cpf by Molmil](/molmil-images/mine/1cpf) | A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Miller, M.A, Han, G.W, Kraut, J. | Deposit date: | 1994-08-18 | Release date: | 1994-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase. Proc.Natl.Acad.Sci.USA, 91, 1994
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1FHF
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![BU of 1fhf by Molmil](/molmil-images/mine/1fhf) | THE STRUCTURE OF SOYBEAN PEROXIDASE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Henriksen, A, Mirza, O, Indiana, C, Welinder, K, Teilum, K, Gajhede, M. | Deposit date: | 2000-08-01 | Release date: | 2001-02-14 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions. Protein Sci., 10, 2001
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5U5X
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![BU of 5u5x by Molmil](/molmil-images/mine/5u5x) | CcP gateless cavity | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Z
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![BU of 5u5z by Molmil](/molmil-images/mine/5u5z) | CcP gateless cavity | Descriptor: | 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5V
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![BU of 5u5v by Molmil](/molmil-images/mine/5u5v) | CcP gateless cavity | Descriptor: | 1H-benzimidazol-4-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U61
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![BU of 5u61 by Molmil](/molmil-images/mine/5u61) | CcP gateless cavity | Descriptor: | 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TWT
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![BU of 5twt by Molmil](/molmil-images/mine/5twt) | |
5SW5
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![BU of 5sw5 by Molmil](/molmil-images/mine/5sw5) | Crystal structure of native catalase-peroxidase KatG at pH7.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-08 | Release date: | 2016-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
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5SX1
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![BU of 5sx1 by Molmil](/molmil-images/mine/5sx1) | Crystal structure of D141E variant of B. pseudomallei KatG | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two alternative substrate paths for compound I formation and reduction in catalase-peroxidase KatG from Burkholderia pseudomallei. Proteins, 66, 2007
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5SXS
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5SX3
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![BU of 5sx3 by Molmil](/molmil-images/mine/5sx3) | Crystal structure of the catalase-peroxidase KatG of B. pseudomaallei at pH 4.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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1DSE
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![BU of 1dse by Molmil](/molmil-images/mine/1dse) | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | Deposit date: | 2000-01-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
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1DSO
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![BU of 1dso by Molmil](/molmil-images/mine/1dso) | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE. | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | Deposit date: | 2000-01-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
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5SXX
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5SYU
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![BU of 5syu by Molmil](/molmil-images/mine/5syu) | Crystal structure of Burkholderia pseudomallei KatG E242Q variant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-12 | Release date: | 2016-09-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry, 56, 2017
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5SXR
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![BU of 5sxr by Molmil](/molmil-images/mine/5sxr) | Crystal structure of B. pseudomallei KatG with NAD bound | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-10 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases. J. Biol. Chem., 285, 2010
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5SXQ
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5SYH
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![BU of 5syh by Molmil](/molmil-images/mine/5syh) | Structure of D141A variant of B. pseudomallei KatG | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-11 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An ionizable active-site tryptophan imparts catalase activity to a peroxidase core. J. Am. Chem. Soc., 136, 2014
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5SYI
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![BU of 5syi by Molmil](/molmil-images/mine/5syi) | Structure of D141A variant of B. pseudomallei KatG complexed with INH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-11 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation. J Phys Chem B, 118, 2014
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1GW2
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![BU of 1gw2 by Molmil](/molmil-images/mine/1gw2) | RECOMBINANT HORSERADISH PEROXIDASE C1A THR171SER IN COMPLEX WITH FERULIC ACID | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Henriksen, A, Meno, K, Brissett, N, Gajhede, M. | Deposit date: | 2002-03-03 | Release date: | 2003-03-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Hrpc Heme Crevice Architecture To be Published
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1H5I
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![BU of 1h5i by Molmil](/molmil-images/mine/1h5i) | X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H55
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![BU of 1h55 by Molmil](/molmil-images/mine/1h55) | STRUCTURE OF HORSERADISH PEROXIDASE C1A COMPOUND II | Descriptor: | ACETATE ION, CALCIUM ION, OXYGEN ATOM, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-18 | Release date: | 2002-06-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5K
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![BU of 1h5k by Molmil](/molmil-images/mine/1h5k) | X-ray induced reduction of horseradish peroxidase C1A Compound III (78-89% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5E
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![BU of 1h5e by Molmil](/molmil-images/mine/1h5e) | X-ray induced reduction of horseradish peroxidase C1A Compound III (11-22% dose) | Descriptor: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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