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1W4Y	Ferrous horseradish peroxidase C1A in complex with carbon monoxide Descriptor: CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... Authors: Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. Deposit date: 2004-08-03 Release date: 2005-01-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
4NVG	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.742 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVC	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVF	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVD	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4OQ7	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2014-02-07 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4C50	Crystal Structure of the Catalase-Peroxidase (KatG) D137S mutant from Mycobacterium Tuberculosis Descriptor: ACETATE ION, CATALASE-PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Hersleth, H.-P, Zhao, X, Magliozzo, R.S, Andersson, K.K. Deposit date: 2013-09-10 Release date: 2013-11-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Access Channel Residues Ser315 and Asp137 in Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) Control Peroxidatic Activation of the Pro-Drug Isoniazid. Chem.Commun.(Camb.), 49, 2013
4CCP	X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS Descriptor: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE Authors: Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. Deposit date: 1990-02-28 Release date: 1991-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
3VLH	Crystal Structure Analysis of the Arg409Leu Variants of KatG from HALOARCULA MARISMORTUI Descriptor: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE Authors: Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. Deposit date: 2011-12-01 Release date: 2012-12-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Catalatic Implication Guided by Structure, Kinetics and Theoretical Studies on Ser305Thr and Arg409Leu Variants of HmKatG To be Published
3VLI	Crystal Structure Analysis of the Cyanide Arg409Leu Variant KatG from HALOARCULA MARISMORTUI Descriptor: CYANIDE ION, Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE Authors: Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. Deposit date: 2011-12-01 Release date: 2012-12-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structures and Peroxidatic Function of Cyanide Arg409Leu Variant and its Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI To be Published
3VLJ	Crystal Structure Analysis of the Cyanide Arg409Leu Variant Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI Descriptor: 3,3'-dimethoxybiphenyl-4,4'-diamine, CYANIDE ION, Catalase-peroxidase 2, ... Authors: Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. Deposit date: 2011-12-01 Release date: 2012-12-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structures and Peroxidatic Function of Cyanide Arg409Leu Variant and its Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI To be Published
3VLK	Crystal Structure Analysis of the Ser305Ala variant of KatG from Haloarcula marismortui Descriptor: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE Authors: Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. Deposit date: 2011-12-01 Release date: 2012-12-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure and Kinetics Studies on Ser305Ala variant of KatG from HALOARCULA MARISMORTUI and its Complexes with Inhibitor SHA To be Published
4CVI	Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE Authors: Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. Deposit date: 2014-03-27 Release date: 2014-07-16 Last modified: 2024-05-08 Method: NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION Cite: Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
3VLL	Crystal Structure Analysis of the Ser305Ala variant of KatG from HALOARCULA MARISMORTUI Complexes with Inhibitor SHA Descriptor: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE, SALICYLHYDROXAMIC ACID Authors: Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. Deposit date: 2011-12-01 Release date: 2012-12-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure and Kinetics Studies on Ser305Ala variant of KatG from HALOARCULA MARISMORTUI and its Complexes with Inhibitor SHA To be Published
4C51	Crystal Structure of the Catalase-Peroxidase (KatG) R418L mutant from Mycobacterium Tuberculosis Descriptor: CATALASE-PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, alpha-D-glucopyranose Authors: Hersleth, H.-P, Zhao, X, Magliozzo, R.S, Andersson, K.K. Deposit date: 2013-09-10 Release date: 2013-11-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Access Channel Residues Ser315 and Asp137 in Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) Control Peroxidatic Activation of the Pro-Drug Isoniazid. Chem.Commun.(Camb.), 49, 2013
4CCX	ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE Authors: Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. Deposit date: 1995-03-17 Release date: 1995-07-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
4ATJ	DISTAL HEME POCKET MUTANT (H42E) OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID Descriptor: BENZHYDROXAMIC ACID, CALCIUM ION, PROTEIN (PEROXIDASE C1A), ... Authors: Meno, K, Jennings, S, Smith, A.T, Henriksen, A, Gajhede, M. Deposit date: 1999-04-19 Release date: 2002-10-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural analysis of the two horseradish peroxidase catalytic residue variants H42E and R38S/H42E: implications for the catalytic cycle. Acta Crystallogr.,Sect.D, 58, 2002
4NVN	Predicting protein conformational response in prospective ligand discovery Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVB	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVM	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVI	Predicting protein conformational response in prospective ligand discovery. Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4CVJ	Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE Authors: Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. Deposit date: 2014-03-27 Release date: 2014-07-16 Last modified: 2024-05-08 Method: NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION Cite: Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
4NVA	Predicting protein conformational response in prospective ligand discovery Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVL	Predicting protein conformational response in prospective ligand discovery. Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.432 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVH	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014

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