1SUO
| Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | 登録日 | 2004-03-26 | 公開日 | 2004-07-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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4I91
| Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | 分子名称: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Shah, M.B, Stout, C.D, Halpert, J.R. | 登録日 | 2012-12-04 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
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3TK3
| Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | 登録日 | 2011-08-25 | 公開日 | 2011-11-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8001 Å) | 主引用文献 | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
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3UAS
| Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | 登録日 | 2011-10-21 | 公開日 | 2013-01-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.939 Å) | 主引用文献 | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
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3ME6
| Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel | 分子名称: | Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R. | 登録日 | 2010-03-31 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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3MVR
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3R1B
| Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | 分子名称: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | 著者 | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | 登録日 | 2011-03-09 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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3KW4
| Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine | 分子名称: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | 著者 | Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R. | 登録日 | 2009-11-30 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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3R1A
| Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | 分子名称: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | 登録日 | 2011-03-09 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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4RUI
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3G5N
| Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | 分子名称: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | 著者 | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | 登録日 | 2009-02-05 | 公開日 | 2009-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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3G93
| Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | 分子名称: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | 登録日 | 2009-02-12 | 公開日 | 2009-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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2BDM
| Structure of Cytochrome P450 2B4 with Bound Bifonazole | 分子名称: | 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | 著者 | Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D. | 登録日 | 2005-10-20 | 公開日 | 2005-12-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction. J.Biol.Chem., 281, 2006
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1PO5
| Structure of mammalian cytochrome P450 2B4 | 分子名称: | Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D. | 登録日 | 2003-06-13 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution Proc.Natl.Acad.Sci.USA, 100, 2003
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5WBG
| Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | 分子名称: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | 著者 | Shah, M.B, Halpert, J.R. | 登録日 | 2017-06-29 | 公開日 | 2018-05-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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4JLT
| Crystal structure of P450 2B4(H226Y) in complex with paroxetine | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | 登録日 | 2013-03-13 | 公開日 | 2013-06-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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4ZV8
| Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | 分子名称: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | 登録日 | 2015-05-18 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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2Q6N
| Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | 分子名称: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | 登録日 | 2007-06-05 | 公開日 | 2007-11-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4. Biochemistry, 46, 2007
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5IUZ
| STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | 登録日 | 2016-03-18 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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5IUT
| STRUCTURE OF P450 2B4 F202W MUTANT | 分子名称: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | 登録日 | 2016-03-18 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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3IBD
| Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | 登録日 | 2009-07-15 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol., 77, 2010
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4H1N
| Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | 著者 | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | 登録日 | 2012-09-10 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket. Arch.Biochem.Biophys., 530, 2013
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3UA5
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3QU8
| Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | 分子名称: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | 登録日 | 2011-02-23 | 公開日 | 2011-09-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol., 80, 2011
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3QOA
| Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. | 分子名称: | 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | 登録日 | 2011-02-09 | 公開日 | 2011-09-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol., 80, 2011
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