3MVR
 
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7RL2
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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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5UDA
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5UAP
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | | 分子名称: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2016-12-19 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | 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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6V7W
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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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5E58
 | | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | | 著者 | Shah, M.B, Stout, C.D, Halpert, J.R. | | 登録日 | 2015-10-08 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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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6V7U
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6V7X
 | | Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR | | 分子名称: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR | | 著者 | Shah, M, Moraes, T.F, Maxwell, K.L. | | 登録日 | 2019-12-09 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
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6V7V
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8F3K
 | | Anti-CRISPR protein AcrIIC5 inhibits CRISPR-Cas9 by acting as a DNA mimic | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRIIC5Nch, AMMONIUM ION, ... | | 著者 | Shah, M, Sungwon, H, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | 登録日 | 2022-11-10 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-04-12 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Anti-CRISPR Protein AcrIIC5 Inhibits CRISPR-Cas9 by Occupying the Target DNA Binding Pocket.
J.Mol.Biol., 435, 2023
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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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6VLT
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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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5UFG
 | | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | | 分子名称: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2017-01-04 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | 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
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | | 分子名称: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2016-12-30 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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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5E0E
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4RRT
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4RUI
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4RQL
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6AS4
 | | Structure of a phage anti-CRISPR protein | | 分子名称: | NHis AcrE1 anti-crispr protein | | 著者 | Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | 登録日 | 2017-08-23 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
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6AS3
 | | Structure of a phage anti-CRISPR protein | | 分子名称: | NHis AcrE1 protein | | 著者 | Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | 登録日 | 2017-08-23 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
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3ETC
 | | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | | 著者 | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | | 登録日 | 2008-10-07 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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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