3VM4
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![BU of 3vm4 by Molmil](/molmil-images/mine/3vm4) | Cytochrome P450SP alpha (CYP152B1) in complex with (R)-ibuprophen | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, ... | Authors: | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2011-12-08 | Release date: | 2012-05-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chiral-substrate-assisted stereoselective epoxidation catalyzed by H2O2-dependent cytochrome P450SP alpha Chem Asian J, 7, 2012
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4XRY
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![BU of 4xry by Molmil](/molmil-images/mine/4xry) | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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3WRI
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![BU of 3wri by Molmil](/molmil-images/mine/3wri) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of P450cam intermediate To be Published
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3T3R
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![BU of 3t3r by Molmil](/molmil-images/mine/3t3r) | Human Cytochrome P450 2A6 in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3WRM
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![BU of 3wrm by Molmil](/molmil-images/mine/3wrm) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of P450cam intermedite To be published
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3WSP
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![BU of 3wsp by Molmil](/molmil-images/mine/3wsp) | Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan, ... | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activation of Wild-type Cytochrome P450BM3 by the Next Generation of Decoy Molecules: Enhanced Hydroxylation of Gaseous Alkanes and Crystallographic Evidence. ACS CATALYSIS, 5, 2015
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3WRJ
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![BU of 3wrj by Molmil](/molmil-images/mine/3wrj) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of P450cam intermedite to be published
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3WVS
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![BU of 3wvs by Molmil](/molmil-images/mine/3wvs) | Crystal Structure of Cytochrome P450revI | Descriptor: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Nagano, S, Takahashi, S, Osada, H, Shiro, Y. | Deposit date: | 2014-06-06 | Release date: | 2014-10-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T. J.Biol.Chem., 289, 2014
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4XRZ
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![BU of 4xrz by Molmil](/molmil-images/mine/4xrz) | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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3WRL
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![BU of 3wrl by Molmil](/molmil-images/mine/3wrl) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of P450cam intermedite To be published
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3WRK
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![BU of 3wrk by Molmil](/molmil-images/mine/3wrk) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure of P450cam intermedite To be Published
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3WEC
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![BU of 3wec by Molmil](/molmil-images/mine/3wec) | Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE | Descriptor: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yasutake, Y, Kitagawa, W, Tamura, T. | Deposit date: | 2013-07-03 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of the quinoline N-hydroxylating cytochrome P450 RauA, an essential enzyme that confers antibiotic activity on aurachin alkaloids Febs Lett., 588, 2014
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3S79
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![BU of 3s79 by Molmil](/molmil-images/mine/3s79) | |
3WRH
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![BU of 3wrh by Molmil](/molmil-images/mine/3wrh) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of P450cam intermedite To be Published
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4WNU
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![BU of 4wnu by Molmil](/molmil-images/mine/4wnu) | Human Cytochrome P450 2D6 Quinidine Complex | Descriptor: | Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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3R1A
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![BU of 3r1a by Molmil](/molmil-images/mine/3r1a) | Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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3ZBY
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![BU of 3zby by Molmil](/molmil-images/mine/3zby) | Ligand-free structure of CYP142 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ... | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | Deposit date: | 2012-11-13 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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3R9B
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![BU of 3r9b by Molmil](/molmil-images/mine/3r9b) | Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 164A2, DODECANE, ... | Authors: | Agnew, C.R.J, Warrilow, A.G.S, Kelly, S.L, Brady, R.L. | Deposit date: | 2011-03-25 | Release date: | 2012-04-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
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3RUK
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![BU of 3ruk by Molmil](/molmil-images/mine/3ruk) | Human Cytochrome P450 CYP17A1 in complex with Abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-05-05 | Release date: | 2012-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
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4WG2
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![BU of 4wg2 by Molmil](/molmil-images/mine/4wg2) | P411BM3-CIS T438S I263F regioselective C-H amination catalyst | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H. | Deposit date: | 2014-09-17 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination. J.Am.Chem.Soc., 136, 2014
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4WQ0
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![BU of 4wq0 by Molmil](/molmil-images/mine/4wq0) | |
3QOA
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![BU of 3qoa by Molmil](/molmil-images/mine/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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3QZ1
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![BU of 3qz1 by Molmil](/molmil-images/mine/3qz1) | |
3RWL
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![BU of 3rwl by Molmil](/molmil-images/mine/3rwl) | Structure of P450pyr hydroxylase | Descriptor: | Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pompidor, G. | Deposit date: | 2011-05-09 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom. Chem.Commun.(Camb.), 48, 2012
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4WNV
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![BU of 4wnv by Molmil](/molmil-images/mine/4wnv) | Human Cytochrome P450 2D6 Quinine Complex | Descriptor: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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