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5CWE	Structure of CYP107L2 from Streptomyces avermitilis with lauric acid Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, LAURIC ACID, ... Authors: Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W. Deposit date: 2015-07-28 Release date: 2016-08-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Structure of CYP107L2 from Streptomyces avermitilis with lauric acid To Be Published
5HIW	Sorangium cellulosum So Ce56 cytochrome P450 260B1 Descriptor: Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. Deposit date: 2016-01-12 Release date: 2016-08-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1. Febs Lett., 590, 2016
5A5J	Cytochrome 2C9 P450 inhibitor complex Descriptor: CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE Authors: Skerratt, S.E, de Groot, M.J, Phillips, C. Deposit date: 2015-06-18 Release date: 2016-08-03 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. To be Published
5EX6	Structure of P450 StaH from glycopeptide antibiotic A47934 biosynthesis Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, GLYCEROL, ... Authors: Cryle, M.J, Ulrich, V. Deposit date: 2015-11-23 Release date: 2016-08-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: More than just recruitment: the X-domain influences catalysis of the first phenolic coupling reaction in A47934 biosynthesis by Cytochrome P450 StaH. Mol Biosyst, 12, 2016
5A5I	Cytochrome 2C9 P450 inhibitor complex Descriptor: CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE Authors: Skerratt, S.E, de Groot, M.J, Phillips, C. Deposit date: 2015-06-18 Release date: 2016-08-24 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
5L1P	X-ray Structure of Cytochrome P450 PntM with Pentalenolactone Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.28 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1O	X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.03 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1Q	X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F Descriptor: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.03 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1S	X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.08 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1W	X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.06 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1V	X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.12 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1R	X-ray Structure of the Substrate-free Cytochrome P450 PntM Descriptor: BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1U	X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.074 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5L1T	X-ray Structure of M77S mutant of Cytochrome P450 PntM with pentalenolactone F Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F Authors: Duan, L, Jogl, G, Cane, D.E. Deposit date: 2016-07-29 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.082 Å) Cite: The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
5E78	Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep Descriptor: 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... Authors: Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. Deposit date: 2015-10-12 Release date: 2016-09-28 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase. Biochim. Biophys. Acta, 1866, 2018
5JQV	Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX Authors: Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. Deposit date: 2016-05-05 Release date: 2016-09-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.34 Å) Cite: An Evolved Orthogonal Enzyme/Cofactor Pair. J.Am.Chem.Soc., 138, 2016
5JQU	Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX Authors: Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. Deposit date: 2016-05-05 Release date: 2016-09-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.162 Å) Cite: An Evolved Orthogonal Enzyme/Cofactor Pair. J.Am.Chem.Soc., 138, 2016
5L94	The 2.25 A crystal structure of CYP109E1 from Bacillus megaterium in complex with testosterone Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2016-06-09 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
5L92	The 2.1 A crystal structure of CYP109E1 from Bacillus megaterium in complex with corticosterone Descriptor: CORTICOSTERONE, Cytochrome P450, MALONIC ACID, ... Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2016-06-09 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
5L91	The 2.2 A crystal structure of CYP109E1 from Bacillus megaterium bound with four corticosterone molecules Descriptor: CORTICOSTERONE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2016-06-09 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
5L90	The crystal structure of substrate-free CYP109E1 from Bacillus megaterium at 2.55 Angstrom resolution Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2016-06-09 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
5JQ2	Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine Descriptor: N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Kloos, M. Deposit date: 2016-05-04 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies. Biochim.Biophys.Acta, 1864, 2016
5JTD	Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO. Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Kloos, M. Deposit date: 2016-05-09 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies. Biochim.Biophys.Acta, 1864, 2016
5ESE	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. Deposit date: 2015-11-16 Release date: 2016-11-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
5ESF	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. Deposit date: 2015-11-16 Release date: 2016-11-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018

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