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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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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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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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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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | Deposit date: | 2011-10-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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6WCE
 | | Structure of the periplasmic binding protein P5PA | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-5-phosphate binding protein A (P5PA) | | Authors: | Pan, C, Zimmer, A, Shah, M, Huynh, M, Lai, C.C.L, Sit, B, Hooda, Y, Moraes, T.F. | | Deposit date: | 2020-03-30 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | Actinobacillus utilizes a binding protein-dependent ABC transporter to acquire the active form of vitamin B 6 .
J.Biol.Chem., 297, 2021
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3IBD
 | | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | | Deposit date: | 2009-07-15 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
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6ARZ
 | | Structure of a phage anti-CRISPR protein | | Descriptor: | BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | Authors: | Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | Deposit date: | 2017-08-23 | | Release date: | 2018-08-29 | | Last modified: | 2019-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
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2PST
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7REA
 | | Apo Hemophilin from A. baumannii | | Descriptor: | Hemophilin | | Authors: | Bateman, T.J, Shah, M, Moraes, T.F. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
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7RED
 | | Holo Hemophilin from A. baumannii | | Descriptor: | Hemophilin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bateman, T.J, Shah, M, Moraes, T.F. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
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5X23
 | | Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules | | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | | Deposit date: | 2017-01-30 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
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5X24
 | | Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | | Deposit date: | 2017-01-30 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
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7RE4
 | | Apo Hemophilin from A. baumannii | | Descriptor: | Hemophilin | | Authors: | Bateman, T.J, Shah, M, Moraes, T.F. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
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5XXI
 | | Crystal structure of CYP2C9 in complex with multiple losartan molecules | | Descriptor: | Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | | Deposit date: | 2017-07-04 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
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4ZV8
 | | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-05-18 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 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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5EOU
 | | Pseudomonas aeruginosa PilM:PilN1-12 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L, Howell, L.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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5EOY
 | | Pseudomonas aeruginosa SeMet-PilM bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-27 | | Last modified: | 2016-06-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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5EQ6
 | | Pseudomonas aeruginosa PilM bound to AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type 4 fimbrial biogenesis protein PilM | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | | Deposit date: | 2015-11-12 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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5EOX
 | | Pseudomonas aeruginosa PilM bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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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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5IUT
 | | STRUCTURE OF P450 2B4 F202W MUTANT | | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, 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 (2.34 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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8GM3
 | | Vibrio harveyi Holo HphA | | Descriptor: | HEME B/C, Hemophilin | | Authors: | Pan, C, Shah, M, Moraes, T.F. | | Deposit date: | 2023-03-24 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | Heme Acquisition by Slam-dependent Hemophores in Gram-negative Bacteria
To Be Published
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