PDB: 487 件ウェブページステータス検索Chemie searchBIRD

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2XIH	The structure of ascorbate peroxidase Compound III 分子名称: ASCORBATE PEROXIDASE, OXYGEN MOLECULE, POTASSIUM ION, ... 著者 Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2010-06-29 公開日 2010-07-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Nature of the ferryl heme in compounds I and II. J. Biol. Chem., 286, 2011
2XIL	The structure of cytochrome c peroxidase Compound I 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, ... 著者 Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2010-06-30 公開日 2010-07-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Nature of the ferryl heme in compounds I and II. J. Biol. Chem., 286, 2011
4NVJ	Predicting protein conformational response in prospective ligand discovery. 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.813 Å) 主引用文献 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 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ... 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.742 Å) 主引用文献 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 分子名称: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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. 分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 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 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 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. 分子名称: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
2Y6A	Ascorbate Peroxidase R38A mutant 分子名称: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Metcalfe, C.L, Efimov, I, Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2011-01-20 公開日 2011-10-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Proton Delivery to Ferryl Heme in a Heme Peroxidase: Enzymatic Use of the Grotthuss Mechanism. J.Am.Chem.Soc., 133, 2011
4NVA	Predicting protein conformational response in prospective ligand discovery 分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 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. 分子名称: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ... 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.432 Å) 主引用文献 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 分子名称: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fraser, J.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 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. 分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fraser, J.S. 登録日 2014-02-07 公開日 2014-02-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
2Y6B	Ascorbate Peroxidase R38K mutant 分子名称: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Metcalfe, C.L, Efimov, I, Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2011-01-20 公開日 2011-10-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Proton Delivery to Ferryl Heme in a Heme Peroxidase: Enzymatic Use of the Grotthuss Mechanism. J.Am.Chem.Soc., 133, 2011
2YCG	Structure of unreduced ferric cytochrome c peroxidase obtained by multicrystal method 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... 著者 Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2011-03-14 公開日 2011-03-30 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Hydrogen Bonds in Ferric Cytochrome C Peroxidase: A Combined X-Ray and Neutron Study To be Published
2YLJ	Horse Radish Peroxidase, mutant S167Y 分子名称: ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... 著者 Roe, S.M, Al-Fartusie, F.S, Smith, A.T. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Engineering and Characterisation of Novel Protein Covalent Linkages in Horseradish Peroxidase (Hrp): Effect on Structure and Function. Ph D Thesis
4PAE	Crystal structure of catalase-peroxidase (KatG) W78F mutant from Synechococcus elongatus PCC7942 分子名称: Catalase-peroxidase, HEME B/C, SODIUM ION, ... 著者 Kamachi, S, Wada, K, Tada, T. 登録日 2014-04-08 公開日 2015-01-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.206 Å) 主引用文献 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
2RBV	Cytochrome C Peroxidase in complex with (1-methyl-1h-pyrrol-2-yl)-methylamine 分子名称: 1-(1-methyl-1H-pyrrol-2-yl)methanamine, Cytochrome C Peroxidase, PHOSPHATE ION, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RC2	Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium 分子名称: 2-ethenyl-1-methylpyridinium, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RBY	1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G 分子名称: 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, PHOSPHATE ION, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RC1	Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline 分子名称: (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RBU	Cytochrome C Peroxidase in complex with cyclopentane-carboximidamide 分子名称: Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE, cyclopentanecarboximidamide 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RBT	n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RC0	Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine 分子名称: (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
2RBX	Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine. 分子名称: Cytochrome C Peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Graves, A.P, Boyce, S.E, Shoichet, B.K. 登録日 2007-09-19 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008

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