5E58
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![BU of 5e58 by Molmil](/molmil-images/mine/5e58) | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-10-08 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 2016
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3QU8
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![BU of 3qu8 by Molmil](/molmil-images/mine/3qu8) | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | Descriptor: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-02-23 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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4RQL
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![BU of 4rql by Molmil](/molmil-images/mine/4rql) | |
4RRT
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![BU of 4rrt by Molmil](/molmil-images/mine/4rrt) | |
4RUI
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![BU of 4rui by Molmil](/molmil-images/mine/4rui) | |
4JLT
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![BU of 4jlt by Molmil](/molmil-images/mine/4jlt) | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | 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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4H1N
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![BU of 4h1n by Molmil](/molmil-images/mine/4h1n) | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-09-10 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | 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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5E0E
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![BU of 5e0e by Molmil](/molmil-images/mine/5e0e) | |
3ETC
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![BU of 3etc by Molmil](/molmil-images/mine/3etc) | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | Authors: | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | Deposit date: | 2008-10-07 | Release date: | 2009-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins, 77, 2009
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5UDA
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![BU of 5uda by Molmil](/molmil-images/mine/5uda) | |
5UFG
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![BU of 5ufg by Molmil](/molmil-images/mine/5ufg) | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-01-04 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
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5UEC
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![BU of 5uec by Molmil](/molmil-images/mine/5uec) | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2016-12-30 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
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5UAP
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![BU of 5uap by Molmil](/molmil-images/mine/5uap) | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | Descriptor: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2016-12-19 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
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5WBG
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![BU of 5wbg by Molmil](/molmil-images/mine/5wbg) | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | Descriptor: | (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, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-06-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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3QOA
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![BU of 3qoa by Molmil](/molmil-images/mine/3qoa) | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. | Descriptor: | 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-02-09 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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3TMZ
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![BU of 3tmz by Molmil](/molmil-images/mine/3tmz) | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-09-01 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
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3UA5
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8VX0
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![BU of 8vx0 by Molmil](/molmil-images/mine/8vx0) | CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Shah, M.B. | Deposit date: | 2024-02-02 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024
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3MVR
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![BU of 3mvr by Molmil](/molmil-images/mine/3mvr) | |
8VZ7
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4I91
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![BU of 4i91 by Molmil](/molmil-images/mine/4i91) | Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-12-04 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
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7RL2
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![BU of 7rl2 by Molmil](/molmil-images/mine/7rl2) | |
5EM4
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![BU of 5em4 by Molmil](/molmil-images/mine/5em4) | Structure of CYP2B4 F244W in a ligand free conformation | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-11-05 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | 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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6VLT
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![BU of 6vlt by Molmil](/molmil-images/mine/6vlt) | Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shah, M.B. | Deposit date: | 2020-01-25 | Release date: | 2020-09-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism. Mol.Pharmacol., 98, 2020
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5IUZ
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![BU of 5iuz by Molmil](/molmil-images/mine/5iuz) | STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | Deposit date: | 2016-03-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | 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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