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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6MA7
 | | Human CYP3A4 bound to an inhibitor fluconazole | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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6M4S
 | | Crystal Structure Analysis of the cytochrome P450 CYP-Sb21 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cytochrome P450 hydroxylase sb21, ... | | Authors: | Li, F.W, Li, S.Y. | | Deposit date: | 2020-03-09 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided manipulation of the regioselectivity of the cyclosporine A hydroxylase CYP-sb21 from Sebekia benihana .
Synth Syst Biotechnol, 5, 2020
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4I4H
 | | Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
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6M7X
 | | Structure of human CYP11B1 in complex with fadrozole | | Descriptor: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
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4I8V
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6JMH
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-03-10 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6J87
 | | Crystal structure of HinD with NMFT and NO | | Descriptor: | N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide, NITRIC OXIDE, Nocardicin N-oxygenase, ... | | Authors: | Fei, H, Mori, T, Abe, I. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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6J84
 | | Crystal structure of TleB with hydroxyl analog | | Descriptor: | (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nakamura, H, Mori, T, Abe, I. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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4ICT
 | | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | | Descriptor: | (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Fonvielle, M, Le Du, M.-H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | | Deposit date: | 2012-12-11 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
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4K9W
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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4KPB
 | | Crystal structure of cytochrome P450 BM-3 R47E mutant | | Descriptor: | Cytochrome P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sadre-Bazzaz, K, Catalano, J, McDermott, A.E, Tong, L. | | Deposit date: | 2013-05-13 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3.
Biochemistry, 52, 2013
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6KFW
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4KKY
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6J82
 | | Crystal structure of TleB apo | | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Alblova, M, Nakamura, H, Mori, T, Abe, I. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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6J88
 | | Crystal structure of HinD with benzo[b]thiophen analog | | Descriptor: | N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide, Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fei, H, Mori, T, Abe, I. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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4KEY
 | | Structure of P450 BM3 A82F F87V in complex with omeprazole | | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2013-04-26 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
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4K9T
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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4KF2
 | | Structure of the P4509 BM3 A82F F87V heme domain | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2013-04-26 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
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4J6D
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4KQ8
 | | Structure of Recombinant Human Cytochrome P450 Aromatase | | Descriptor: | 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ... | | Authors: | Ghosh, D, Di Nardo, G, Griswold, J. | | Deposit date: | 2013-05-14 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase.
Biochemistry, 52, 2013
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4K9U
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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4KF0
 | | Structure of the A82F P450 BM3 heme domain | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2013-04-26 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
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4K9X
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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