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4BM0	CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM VII Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
4BM4	CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM IV Descriptor: CALCIUM ION, MANGANESE PEROXIDASE 4, PROTOPORPHYRIN IX CONTAINING FE Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
4BLY	CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM V Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.794 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
4BLZ	CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM VI Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
4BLX	CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM IV Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.249 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
4BM3	CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM III Descriptor: CALCIUM ION, MANGANESE PEROXIDASE 4, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Medrano, F.J, Romero, A. Deposit date: 2013-05-05 Release date: 2014-01-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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
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
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
4NVK	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, 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 (1.56 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVO	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 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 (1.71 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVJ	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: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.813 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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
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
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
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
4NVE	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZIMIDAZOLE, 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 (1.54 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
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
4JQN	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... Authors: Boyce, S.E, Fischer, M, Fish, I. Deposit date: 2013-03-20 Release date: 2013-07-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JPU	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Boyce, S.E, Fischer, M, Fish, I. Deposit date: 2013-03-19 Release date: 2013-07-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013

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