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5EM4
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BU of 5em4 by Molmil
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
5E58
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BU of 5e58 by Molmil
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
5E0E
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BU of 5e0e by Molmil
Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 family 2 subfamily B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Halpert, J.R, Stout, C.D.
Deposit date:2015-09-28
Release date:2016-02-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 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
5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
5WBG
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BU of 5wbg by Molmil
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
5UFG
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BU of 5ufg by Molmil
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
5UEC
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BU of 5uec by Molmil
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
5UAP
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BU of 5uap by Molmil
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
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
Descriptor: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-03
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Descriptor: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-06
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4HYX
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BU of 4hyx by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle
Descriptor: Bacteriorhodopsin, DECANE, GLYCEROL, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-14
Release date:2013-03-20
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HWL
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BU of 4hwl by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle
Descriptor: Bacteriorhodopsin, GLYCEROL, HEPTANE, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
Descriptor: Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
Descriptor: CALCIUM ION, Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
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