1IZO
 
 | | Cytochrome P450 BS beta Complexed with Fatty Acid | | Descriptor: | Cytochrome P450 152A1, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.S, Yamada, A, Sugimoto, H, Matsunaga, I, Ogura, H, Ichihara, K, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-10-10 | | Release date: | 2003-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate Recognition and Molecular Mechanism of Fatty Acid Hydroxylation by Cytochrome P450 from Bacillus subtilis. CRYSTALLOGRAPHIC, SPECTROSCOPIC, AND MUTATIONAL STUDIES.
J.Biol.Chem., 278, 2003
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2ZQX
 | | Cytochrome P450BSbeta cocrystallized with heptanoic acid | | Descriptor: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | | Deposit date: | 2008-08-22 | | Release date: | 2009-08-25 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
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2H7Q
 | | Cytochrome P450cam complexed with imidazole | | Descriptor: | Cytochrome P450-cam, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Verras, A, Alian, A, Montellano, P.R. | | Deposit date: | 2006-06-02 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation.
Protein Eng.Des.Sel., 19, 2006
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8SPD
 | | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2023-05-02 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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8SG5
 | | Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2023-04-11 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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6F0C
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6F0B
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3ES9
 | | NADPH-Cytochrome P450 Reductase in an Open Conformation | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hamdane, D, Xia, C, Im, S.-C, Zhang, H, Kim, J.-J, Waskell, L. | | Deposit date: | 2008-10-05 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and function of an NADPH-cytochrome P450 oxidoreductase in an open conformation capable of reducing cytochrome P450
J.Biol.Chem., 284, 2009
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6T1U
 | | Cytochrome P450 reductase from Candida tropicalis | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase | | Authors: | Opperman, D.J, Sewell, B.T. | | Deposit date: | 2019-10-06 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis.
Sci Rep, 9, 2019
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6T1T
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5E9Z
 | | Cytochrome P450 BM3 mutant M11 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | | Deposit date: | 2015-10-15 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Proteins, 84, 2016
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6M4Q
 | | Cytochrome P450 monooxygenase StvP2 substrate-free structure | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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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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1K2O
 | | Cytochrome P450Cam with Bound BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II) | | Descriptor: | CACODYLATE ION, Cytochrome P450CAM, DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II), ... | | Authors: | Dunn, A.R, Dmochowski, I.J, Bilwes, A.M, Gray, H.B, Crane, B.R. | | Deposit date: | 2001-09-28 | | Release date: | 2001-10-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Probing the open state of cytochrome P450cam with ruthenium-linker substrates.
Proc.Natl.Acad.Sci.USA, 98, 2001
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8HG9
 | | Cytochrome P450 steroid hydroxylase (BaCYP106A6) from Bacillus species | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 steroid hydroxylase | | Authors: | Do, H, Lee, J.H. | | Deposit date: | 2022-11-14 | | Release date: | 2023-07-26 | | Last modified: | 2026-03-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal Structure and Biochemical Analysis of a Cytochrome P450 Steroid Hydroxylase ( Ba CYP106A6) from Bacillus Species.
J Microbiol Biotechnol., 33, 2023
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1EA1
 | | Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Poulos, T.L, Waterman, M.R. | | Deposit date: | 2000-11-02 | | Release date: | 2000-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
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1E9X
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9CJG
 | | P450-G9 from Actinokineospora terrae, a non-canonical, serine-ligated cytochrome P450 in the ligand-free, closed conformation | | Descriptor: | 1-BUTANOL, Cytochrome P450-G9, FORMIC ACID, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-07-06 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Non-Canonical Cytochrome P450 Enzymes in Nature.
Biorxiv, 2024
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7QAN
 | | Cytochrome P450 Enzyme AbyV | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Parnell, A.E, Back, C.R, Race, P.R. | | Deposit date: | 2021-11-17 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8EUH
 | | cytochrome P450terp (cyp108A1) bound to alpha-terpineol | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gable, J.A, Follmer, A.H, Poulos, T.L. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
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8EUK
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8EUL
 | | cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gable, J.A, Follmer, A.H, Poulos, T.L. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
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7TEF
 | | Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mohamed, H.A, Bruning, J.B, Bell, S.G. | | Deposit date: | 2022-01-04 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis.
J.Steroid Biochem.Mol.Biol., 221, 2022
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3TK3
 | | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-08-25 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8001 Å) | | Cite: | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
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2WIY
 | | Cytochrome P450 XplA heme domain P21212 | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450-LIKE PROTEIN XPLA, IMIDAZOLE, ... | | Authors: | Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G. | | Deposit date: | 2009-05-18 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The 1.5-A Structure of Xpla-Heme, an Unusual Cytochrome P450 Heme Domain that Catalyzes Reductive Biotransformation of Royal Demolition Explosive.
J.Biol.Chem., 284, 2009
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