2CCD
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2EUT
| Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUP
| Cytochrome c peroxidase (CCP) in complex with 2-amino-5-picoline | Descriptor: | 5-METHYLPYRIDIN-2-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUN
| Cytochrome c peroxidase (CCP) in complex with 2,4-diaminopyrimidine | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PYRIMIDINE-2,4-DIAMINE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUU
| Cytochrome c peroxidase (CCP) in complex with 1H-imidazol-2-ylmethanol | Descriptor: | 1H-IMIDAZOL-2-YLMETHANOL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUQ
| Cytochrome c peroxydase (CCP) in complex with 3-thienylmethylamine | Descriptor: | 1-THIEN-3-YLMETHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUR
| Cytochrome c peroxidase (CCP) in complex with 4-pyridylcarbinol | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PYRIDIN-4-YLMETHANOL, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUO
| Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine | Descriptor: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2EUS
| Cytochrome c peroxidase (CCP) in complex with benzylamine | Descriptor: | BENZYLAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2GHC
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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2GHD
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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2GGN
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, SULFATE ION, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2006-03-24 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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2GHK
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | CYANIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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5SXX
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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
| 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
| 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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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
| 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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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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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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