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1DJ1	CRYSTAL STRUCTURE OF R48A MUTANT OF CYTOCHROME C PEROXIDASE Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE Authors: Hirst, J, Goodin, D.B. Deposit date: 1999-11-30 Release date: 1999-12-10 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Unusual oxidative chemistry of N(omega)-hydroxyarginine and N-hydroxyguanidine catalyzed at an engineered cavity in a heme peroxidase. J.Biol.Chem., 275, 2000
1DJ5	CRYSTAL STRUCTURE OF R48A MUTANT OF CYTOCHROME C PEROXIDASE WITH N-HYDROXYGUANIDINE BOUND Descriptor: CYTOCHROME C PEROXIDASE, N-HYDROXYGUANIDINE, PROTOPORPHYRIN IX CONTAINING FE Authors: Hirst, J, Goodin, D.B. Deposit date: 1999-12-01 Release date: 1999-12-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Unusual oxidative chemistry of N(omega)-hydroxyarginine and N-hydroxyguanidine catalyzed at an engineered cavity in a heme peroxidase. J.Biol.Chem., 275, 2000
5TXQ	Crystal structure of the A143D variant of catalase-peroxidase from B. pseudomallei Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ... Authors: Loewen, P.C. Deposit date: 2016-11-17 Release date: 2017-04-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry, 56, 2017
1DSP	CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 7, 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
1DSG	CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 5, 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 (2.56 Å) Cite: Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
5SYK	Crystal structure of B. pseudomallei KatG treated with hydrogen peroxide Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... Authors: Loewen, P.C. Deposit date: 2016-08-11 Release date: 2016-09-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An ionizable active-site tryptophan imparts catalase activity to a peroxidase core. J. Am. Chem. Soc., 136, 2014
5SXW	Crystal structure of the E198A variant of catalase-peroxidase KatG of Burkholderia pseudomallei Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-10 Release date: 2016-09-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases. J. Biol. Chem., 285, 2010
5SYV	Crystal structure of Burkholderia pseudomallei KatG N240D 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 (1.75 Å) Cite: The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry, 56, 2017
5SW6	Crystal structure of an oxoferryl species of catalase-peroxidase KatG at pH5.6 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN ATOM, ... Authors: Loewen, P.C. Deposit date: 2016-08-08 Release date: 2016-08-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
5SX0	Crystal structure of an oxoferryl species of 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: 2016-08-09 Release date: 2016-08-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2 Å) Cite: A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
5SXT	Crystal structure of the S324T variant of Burkholderia pseudomallei KatG with isonicotinic acid hydrazide bound Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-10 Release date: 2016-09-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases. J. Biol. Chem., 285, 2010
5SX7	Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-09 Release date: 2016-08-31 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 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
5SYX	Crystal structure of Burkholderia pseudomallei KatG variant W139F 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 (1.77 Å) Cite: Burkholderia pseudomallei KatG variant W139F To be published
5U5U	CcP gateless cavity Descriptor: ISONICOTINAMIDINE, 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 (1.33 Å) Cite: Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5Y	CcP gateless cavity Descriptor: 2-methylimidazo[1,2-a]pyridin-3-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 (1.3 Å) Cite: Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U60	CcP gateless cavity Descriptor: (4E)-4-hydrazinylidene-1,4-dihydroquinoline, 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 (1.5 Å) Cite: Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5SX6	Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-09 Release date: 2016-08-31 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 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
5SYW	Crystal structure of Burkhoderia pseudomallei KatG variant Q233E 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 (1.85 Å) Cite: The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry, 56, 2017
5SW4	Crystal structure of native catalase-peroxidase KatG at pH8.0 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 (1.9 Å) Cite: A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
5SYL	B. pseudomallei KatG with KCN bound Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, CYANIDE ION, ... Authors: Loewen, P.C. Deposit date: 2016-08-11 Release date: 2016-09-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure of B. pseudomallei KatG with cyanide bound To be published
5SX2	Crystal structure of the D141E mutant of B. pseudomallei KatG at pH 8.0. Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-09 Release date: 2016-09-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Two alternative substrate paths for compound I formation and reduction in catalase-peroxidase KatG from Burkholderia pseudomallei. Proteins, 66, 2007
5SYJ	Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... Authors: Loewen, P.C. Deposit date: 2016-08-11 Release date: 2016-09-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.88 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
5SYY	Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei 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 (1.85 Å) Cite: B. pseudomallei KatG variant S324G To be published
1EBE	Laue diffraction study on the structure of cytochrome c peroxidase compound I Descriptor: CYTOCHROME C PEROXIDASE, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE Authors: Fulop, V, Phizackerley, R.P, Soltis, S.M, Clifton, I.J, Wakatsuki, S, Erman, J.E, Hajdu, J, Edwards, S.L. Deposit date: 2001-07-25 Release date: 2001-07-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Laue Diffraction Study on the Structure of Cytochrome C Peroxidase Compound I Structure, 2, 1994
1CPD	A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE Descriptor: AMMONIUM ION, 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: 2024-02-07 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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