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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1PHA
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![BU of 1pha by Molmil](/molmil-images/mine/1pha) | INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM | Descriptor: | 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Poulos, T.L. | Deposit date: | 1992-07-27 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Inhibitor-induced conformational change in cytochrome P-450CAM. Biochemistry, 32, 1993
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1PKF
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![BU of 1pkf by Molmil](/molmil-images/mine/1pkf) | Crystal Structure of Epothilone D-bound Cytochrome P450epoK | Descriptor: | EPOTHILONE D, PROTOPORPHYRIN IX CONTAINING FE, cytochrome p450EpoK | Authors: | Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-06-05 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Epothilone D-bound, Epothilone B-bound, and Substrate-free Forms of Cytochrome P450epoK J.Biol.Chem., 278, 2003
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3S79
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1Q5E
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![BU of 1q5e by Molmil](/molmil-images/mine/1q5e) | Substrate-free Cytochrome P450epoK | Descriptor: | P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-08-06 | Release date: | 2003-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK J.Biol.Chem., 278, 2003
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8DYC
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![BU of 8dyc by Molmil](/molmil-images/mine/8dyc) | Human CYP3A4 bound to a substrate | Descriptor: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-08-04 | Release date: | 2022-10-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site. Int J Mol Sci, 23, 2022
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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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8E83
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8DYB
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1OXA
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![BU of 1oxa by Molmil](/molmil-images/mine/1oxa) | CYTOCHROME P450 (DONOR:O2 OXIDOREDUCTASE) | Descriptor: | 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 ERYF, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cupp-Vickery, J.R, Poulos, T.L. | Deposit date: | 1995-07-14 | Release date: | 1995-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of cytochrome P450eryF involved in erythromycin biosynthesis. Nat.Struct.Biol., 2, 1995
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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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8DSG
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![BU of 8dsg by Molmil](/molmil-images/mine/8dsg) | P411-PFA carbene transferase | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ... | Authors: | Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases. Nat Catal, 6, 2023
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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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1O76
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![BU of 1o76 by Molmil](/molmil-images/mine/1o76) | CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ... | Authors: | Fedorov, R, Ghosh, D, Schlichting, I. | Deposit date: | 2002-10-23 | Release date: | 2002-12-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes Arch.Biochem.Biophys., 409, 2003
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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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8E5J
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![BU of 8e5j by Molmil](/molmil-images/mine/8e5j) | The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 | Descriptor: | 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J.B. | Deposit date: | 2022-08-22 | Release date: | 2023-08-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J, 17, 2022
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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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1P2Y
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![BU of 1p2y by Molmil](/molmil-images/mine/1p2y) | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | Deposit date: | 2003-04-16 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Biochemistry, 42, 2003
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8EWP
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![BU of 8ewp by Molmil](/molmil-images/mine/8ewp) | Crystal structure of CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-10-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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