PDB: 489 件ウェブページステータス検索Chemie searchBIRD

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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
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
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
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
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
1KXM	Crystal structure of Cytochrome c Peroxidase with a Proposed Electron Transfer Pathway Excised to Form a Ligand Binding Channel. 分子名称: BENZIMIDAZOLE, Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Rosenfeld, R.J, Hayes, A.M.A, Musah, R.A, Goodin, D.B. 登録日 2002-02-01 公開日 2002-03-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Excision of a proposed electron transfer pathway in cytochrome c peroxidase and its replacement by a ligand-binding channel. Protein Sci., 11, 2002
1KOK	Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP) 分子名称: Cytochrome c Peroxidase, FE(III)-(4-MESOPORPHYRINONE) 著者 Bhaskar, B, Immoos, C.E, Cohen, M.S, Barrows, T.P, Farmer, P.J, Poulos, T.L. 登録日 2001-12-20 公開日 2002-10-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Mesopone cytochrome c peroxidase: functional model of heme oxygenated oxidases. J.Inorg.Biochem., 91, 2002
1KXN	Crystal Structure of Cytochrome c Peroxidase with a Proposed Electron Transfer Pathway Excised to Form a Ligand Binding Channel. 分子名称: PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase 著者 Rosenfeld, R.J, Hayes, A.M.A, Musah, R.A, Goodin, D.B. 登録日 2002-02-01 公開日 2002-03-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Excision of a proposed electron transfer pathway in cytochrome c peroxidase and its replacement by a ligand-binding channel. Protein Sci., 11, 2002
1KRJ	Engineering Calcium-binding site into Cytochrome c Peroxidase (CcP) 分子名称: Cytochrome c Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE 著者 Bonagura, C.A, Bhaskar, B, Sundaramoorthy, M, Poulos, T.L. 登録日 2002-01-09 公開日 2002-01-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conversion of an engineered potassium-binding site into a calcium-selective site in cytochrome c peroxidase. J.Biol.Chem., 274, 1999
1KZM	Distal Heme Pocket Mutant (R38S/H42E) of Recombinant Horseradish Peroxidase C (HRP C). 分子名称: CACODYLATE ION, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Meno, K, Henriksen, A, Smith, A.T, Gajhede, M. 登録日 2002-02-07 公開日 2002-10-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
1IYN	Crystal structure of chloroplastic ascorbate peroxidase from tobacco plants and structural insights for its instability 分子名称: Chloroplastic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION 著者 Wada, K, Tada, T, Nakamura, Y. 登録日 2002-09-03 公開日 2003-09-03 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of chloroplastic ascorbate peroxidase from tobacco plants and structural insights into its instability J.BIOCHEM.(TOKYO), 134, 2003
4JMB	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ... 著者 Barelier, S, Fischer, M. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
4JMZ	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine 分子名称: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE 著者 Barelier, S, Fischer, M. 登録日 2013-03-14 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities. Plos One, 8, 2013
4JMW	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol 分子名称: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE 著者 Fischer, M, Fish, I. 登録日 2013-03-14 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JPL	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole 分子名称: 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-19 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JQK	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol 分子名称: 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-20 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JM6	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine 分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JPT	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine 分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-19 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
4JQJ	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline 分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-20 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 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 分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine 著者 Barelier, S, Fischer, M. 登録日 2013-03-14 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 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 分子名称: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... 著者 Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 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 分子名称: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... 著者 Boyce, S.E, Fischer, M, Fish, I. 登録日 2013-03-13 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 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 分子名称: 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE 著者 Barelier, S, Fischer, M. 登録日 2013-03-14 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.864 Å) 主引用文献 Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published

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