4RRT
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4RUI
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4RQL
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3MVR
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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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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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6V7W
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6V7U
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6V7X
| 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
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6V7V
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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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7RL2
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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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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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6AS4
| 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
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6AS3
| 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
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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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6N05
| Structure of anti-crispr protein, AcrIIC2 | Descriptor: | AcrIIC2 | Authors: | Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2018-11-06 | Release date: | 2019-06-05 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2. Nat Commun, 10, 2019
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8F3K
| 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
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5UDA
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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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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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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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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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