1UYU
| Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ... | Authors: | Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X. | Deposit date: | 2004-03-02 | Release date: | 2005-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Survey of Active Site Access Channels in Cytochromes P450 J.Inorg.Biochem., 98, 2004
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1IO9
| THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-02-08 | Release date: | 2001-03-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties. J.Inorg.Biochem., 91, 2002
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1SMJ
| Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Joyce, M.G, Girvan, H.M, Munro, A.W, Leys, D. | Deposit date: | 2004-03-09 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Single Mutation in Cytochrome P450 BM3 Induces the Conformational Rearrangement Seen upon Substrate Binding in the Wild-type Enzyme J.Biol.Chem., 279, 2004
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2HI4
| Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone | Descriptor: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1A2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sansen, S, Yano, J.K, Reynald, R.L, Schoch, G.S, Stout, C.D, Johnson, E.F. | Deposit date: | 2006-06-29 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2. J.Biol.Chem., 282, 2007
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1T93
| Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2) | Descriptor: | FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450 | Authors: | Zhao, B, Sundaramoorthy, M, Waterman, M.R. | Deposit date: | 2004-05-14 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2. J.Biol.Chem., 280, 2005
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1W0E
| Crystal structure of human cytochrome P450 3A4 | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | Deposit date: | 2004-06-03 | Release date: | 2004-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
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1JPZ
| Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2001-08-03 | Release date: | 2001-11-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pivotal role of water in the mechanism of P450BM-3. Biochemistry, 40, 2001
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1JIN
| P450eryF/ketoconazole | Descriptor: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. | Deposit date: | 2001-07-02 | Release date: | 2001-10-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF. J.Mol.Biol., 311, 2001
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2L8M
| Reduced and CO-bound cytochrome P450cam (CYP101A1) | Descriptor: | CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J. | Deposit date: | 2011-01-19 | Release date: | 2011-02-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam). Biochemistry, 50, 2011
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2JJP
| Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC) | Descriptor: | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | Deposit date: | 2008-04-15 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States. Biochemistry, 49, 2010
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2LQD
| Reduced and CO-bound cytochrome P450cam (CYP101A1) | Descriptor: | CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J. | Deposit date: | 2012-03-02 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam). Biochemistry, 51, 2012
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4MM0
| Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin | Descriptor: | P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H. | Deposit date: | 2013-09-07 | Release date: | 2014-09-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin To be Published
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4LHT
| Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-07-01 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4L77
| P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-06-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4L40
| Structure of the P450 OleT with a C20 fatty acid substrate bound | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase, icosanoic acid | Authors: | Leys, D. | Deposit date: | 2013-06-07 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium. J.Biol.Chem., 289, 2014
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4L4F
| Structure of cyanide and camphor bound P450cam mutant L358A/K178G/D182N | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.294 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L0E
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4L4C
| Structure of L358P/K178G mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4D
| Structure of cyanide and camphor bound P450cam mutant L358A | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4NY4
| Crystal structure of CYP3A4 in complex with an inhibitor | Descriptor: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Branden, G, Sjogren, T, Xue, Y. | Deposit date: | 2013-12-10 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19, 2014
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4L4E
| Structure of cyanide and camphor bound P450cam mutant L358A/K178G | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4NKV
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4LXJ
| Saccharomyces cerevisiae lanosterol 14-alpha demethylase with lanosterol bound | Descriptor: | LANOSTEROL, Lanosterol 14-alpha demethylase, OXYGEN MOLECULE, ... | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, McDonald, J, Rodriguez, A, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2013-07-29 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Proc.Natl.Acad.Sci.USA, 111, 2014
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4OQS
| Crystal structure of CYP105AS1 | Descriptor: | CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2014-02-10 | Release date: | 2015-02-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum. Proc.Natl.Acad.Sci.USA, 112, 2015
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4O4P
| Structure of P450 BM3 A82F F87V in complex with S-omeprazol | 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: | 2013-12-19 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3. Biochem.J., 460, 2014
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