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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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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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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5SYK
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5SXW
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5SYV
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![BU of 5syv by Molmil](/molmil-images/mine/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
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5V4O
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5SW6
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![BU of 5sw6 by Molmil](/molmil-images/mine/5sw6) | |
5SX0
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5SXT
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5SX7
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![BU of 5sx7 by Molmil](/molmil-images/mine/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
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5SYX
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5SX6
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![BU of 5sx6 by Molmil](/molmil-images/mine/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
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5SYW
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![BU of 5syw by Molmil](/molmil-images/mine/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
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5SW4
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![BU of 5sw4 by Molmil](/molmil-images/mine/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
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5SYL
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![BU of 5syl by Molmil](/molmil-images/mine/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
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5SYY
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5SX2
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![BU of 5sx2 by Molmil](/molmil-images/mine/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
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5SYJ
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5V53
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