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PDB: 49 results

3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed 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:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2021-07-23
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
3QU8
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BU of 3qu8 by Molmil
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
3QOA
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BU of 3qoa by Molmil
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
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
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
6V7W
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BU of 6v7w by Molmil
Crystal structure of LasR-Aqs1 complex from Pseudomonas aeruginosa
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
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
5E58
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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
6V7U
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BU of 6v7u by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1
Descriptor: Quorum sensing anti-activator protein Aqs1
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V7X
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BU of 6v7x by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V7V
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BU of 6v7v by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1
Descriptor: Quorum sensing anti-activator Aqs1
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
8F3K
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BU of 8f3k by Molmil
Anti-CRISPR protein AcrIIC5 inhibits CRISPR-Cas9 by acting as a DNA mimic
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRIIC5Nch, AMMONIUM ION, ...
Authors:Shah, M, Sungwon, H, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anti-CRISPR Protein AcrIIC5 Inhibits CRISPR-Cas9 by Occupying the Target DNA Binding Pocket.
J.Mol.Biol., 435, 2023
4JLT
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BU of 4jlt by Molmil
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
6VLT
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BU of 6vlt by Molmil
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
4I91
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BU of 4i91 by Molmil
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
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
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:2023-09-27
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
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
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2014-11-19
Release date:2015-01-28
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
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
6AS4
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BU of 6as4 by Molmil
Structure of a phage anti-CRISPR protein
Descriptor: NHis AcrE1 anti-crispr protein
Authors:Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
Deposit date:2017-08-23
Release date:2017-12-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
6AS3
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BU of 6as3 by Molmil
Structure of a phage anti-CRISPR protein
Descriptor: NHis AcrE1 protein
Authors:Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
3ETC
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BU of 3etc by Molmil
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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