4L54
| Structure of cytochrome P450 OleT, ligand-free | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase | Authors: | Leys, D. | Deposit date: | 2013-06-10 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 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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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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4C9P
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4C9L
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4C9K
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4C9M
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4C9N
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4C9O
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4L36
| Crystal structure of the cytochrome P450 enzyme TxtE | Descriptor: | HEME B/C, IMIDAZOLE, Putative P450-like protein | Authors: | Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H. | Deposit date: | 2013-06-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE. Plos One, 8, 2013
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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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4J14
| Crystal Structure of Human Cytochrome P450 CYP46A1 with Posaconazole Bound | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, POSACONAZOLE, ... | Authors: | Stout, C.D, Mast, N, Pikuleva, I.A. | Deposit date: | 2013-01-31 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antifungal Azoles: Structural Insights into Undesired Tight Binding to Cholesterol-Metabolizing CYP46A1. Mol.Pharmacol., 84, 2013
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4BY0
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R. | Deposit date: | 2013-07-16 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi Acs Med.Chem.Lett., 5, 2014
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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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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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3ZK5
| PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M. | Deposit date: | 2013-01-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
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4J6C
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4JBT
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4J6D
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4J6B
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3ZPI
| PikC D50N mutant in P21 space group | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 HYDROXYLASE PIKC, FORMIC ACID, ... | Authors: | Podust, L.M. | Deposit date: | 2013-02-27 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Recognition of Synthetic Substrates by P450 Pikc To be Published
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4BF4
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4COH
| Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor | Descriptor: | 2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Vieira, D.F, Choi, J.Y, Roush, W.R, Podust, L.M. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Expanding the Binding Envelope of Cyp51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives Chembiochem, 15, 2014
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4KKY
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4BMM
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | Deposit date: | 2013-05-09 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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4PXH
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