PDB: 487 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
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
4PAE	Crystal structure of catalase-peroxidase (KatG) W78F mutant from Synechococcus elongatus PCC7942 Descriptor: Catalase-peroxidase, HEME B/C, SODIUM ION, ... Authors: Kamachi, S, Wada, K, Tada, T. Deposit date: 2014-04-08 Release date: 2015-01-14 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3.206 Å) Cite: Crystal structure of the catalase-peroxidase KatG W78F mutant from Synechococcus elongatus PCC7942 in complex with the antitubercular pro-drug isoniazid. Febs Lett., 589, 2015
1V0H	ASCOBATE PEROXIDASE FROM SOYBEAN CYTOSOL IN COMPLEX WITH SALICYLHYDROXAMIC ACID Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SALICYLHYDROXAMIC ACID, ... Authors: Sharp, K.H, Raven, E.L, Moody, P.C.E. Deposit date: 2004-03-29 Release date: 2004-06-23 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Crystal Structure of the Ascorbate Peroxidase-Salicylhydroxamic Acid Complex Biochemistry, 43, 2004
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
1W4W	Ferric horseradish peroxidase C1A in complex with formate Descriptor: CALCIUM ION, FORMIC ACID, 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 (1.55 Å) Cite: Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
4JQJ	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 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 (1.6 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JM8	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Boyce, S.E, Fischer, M, Fish, I. Deposit date: 2013-03-13 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JMV	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine Authors: Barelier, S, Fischer, M. Deposit date: 2013-03-14 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
4JMA	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol Descriptor: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Boyce, S.E, Fischer, M, Fish, I. Deposit date: 2013-03-13 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JM5	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... Authors: Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. Deposit date: 2013-03-13 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JM9	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium Descriptor: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... Authors: Boyce, S.E, Fischer, M, Fish, I. Deposit date: 2013-03-13 Release date: 2013-05-01 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
4JN0	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde Descriptor: 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Barelier, S, Fischer, M. Deposit date: 2013-03-14 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.864 Å) Cite: Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
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
4JMS	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-5-amine Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-5-amine Authors: Barelier, S, Fischer, M. Deposit date: 2013-03-14 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
4JMT	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol Descriptor: 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Barelier, S, Fischer, M. Deposit date: 2013-03-14 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published

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