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5X7E	Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2 Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase Authors: Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T. Deposit date: 2017-02-25 Release date: 2017-05-10 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Production of an active form of vitamin D2 by genetically engineered CYP105A1 Biochem. Biophys. Res. Commun., 486, 2017
5IBJ	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6 Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
2BDM	Structure of Cytochrome P450 2B4 with Bound Bifonazole Descriptor: 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... Authors: Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D. Deposit date: 2005-10-20 Release date: 2005-12-27 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction. J.Biol.Chem., 281, 2006
5IK1	Open state of P450cam after soaking in camphor Descriptor: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE Authors: Mahomed, M, Goodin, D.B, Lee, Y.-T. Deposit date: 2016-03-03 Release date: 2016-05-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States. J.Am.Chem.Soc., 138, 2016
5XJN	cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate Descriptor: (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Dong, S, Du, L, Li, S, Feng, Y. Deposit date: 2017-05-03 Release date: 2017-07-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WK9	R186AP450cam with CN and camphor Descriptor: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... Authors: Poulos, T.L, Batabyal, D. Deposit date: 2017-07-24 Release date: 2017-09-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.983 Å) Cite: Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
5GNM	Cytochrome P450 Vdh (CYP107BR1) L348M mutant Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase Authors: Yasutake, Y, Tamura, T. Deposit date: 2016-07-22 Release date: 2017-05-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site Acta Crystallogr F Struct Biol Commun, 73, 2017
5VBU	Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Pallan, P.S, Egli, M. Deposit date: 2017-03-30 Release date: 2017-05-31 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (3.31 Å) Cite: Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia. J. Biol. Chem., 292, 2017
1IWI	Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Cytochrome P450cam Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE Authors: Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2002-05-15 Release date: 2002-06-05 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam Biochemistry, 42, 2003
1GJM	Covalent attachment of an electroactive sulphydryl reagent in the active site of cytochrome P450cam Descriptor: CYTOCHROME P450-CAM, N-(2-FERROCENYLETHYL)MALEIMIDE, PROTOPORPHYRIN IX CONTAINING FE Authors: Fulop, V. Deposit date: 2001-07-26 Release date: 2001-07-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Covalent Attachment of an Electroactive Sulphydryl Reagent in the Active Site of Cytochrome P450Cam as Revealed by the Crystal Structure of the Modified Protein J.Am.Chem.Soc., 120, 1998
5IRQ	Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel Descriptor: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Scott, E.E, Petrunak, E.M. Deposit date: 2016-03-14 Release date: 2017-03-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.202 Å) Cite: Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
1GEJ	STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM Descriptor: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE Authors: lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y. Deposit date: 2000-11-13 Release date: 2000-12-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam. Biochemistry, 40, 2001
2UWH	Cytochrome P450 BM3 mutant in complex with palmitic acid Descriptor: BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE Authors: Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E. Deposit date: 2007-03-21 Release date: 2007-08-28 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency. J.Mol.Biol., 373, 2007
5XNT	Structure of CYP106A2 from Bacillus sp. PAMC 23377 Descriptor: Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE Authors: Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H. Deposit date: 2017-05-24 Release date: 2018-04-04 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377. J. Microbiol. Biotechnol., 27, 2017
1GEI	STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM Descriptor: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE Authors: Lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y. Deposit date: 2000-11-13 Release date: 2000-11-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam. Biochemistry, 40, 2001
2A1O	Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... Authors: Nagano, S, Poulos, T.L. Deposit date: 2005-06-20 Release date: 2005-07-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism J.Biol.Chem., 280, 2005
5VCD	Crystal structure of the cysteine depleted CYP3A4 bound to glycerol Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE Authors: Sevrioukova, I. Deposit date: 2017-03-31 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.95 Å) Cite: High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
5IUZ	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
5VCG	Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sevrioukova, I. Deposit date: 2017-03-31 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
1IWJ	Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(109K) Cytochrome P450cam Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE Authors: Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2002-05-15 Release date: 2002-06-05 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam Biochemistry, 42, 2003
2BZ9	Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE Authors: Yermalitskaya, L.V, Waterman, M.R, Podust, L.M. Deposit date: 2005-08-12 Release date: 2006-12-07 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
1J51	CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE Descriptor: 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... Authors: Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. Deposit date: 2002-01-05 Release date: 2002-01-23 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene J.BIOL.CHEM., 277, 2002
2C6H	Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. Deposit date: 2005-11-09 Release date: 2006-07-03 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.35 Å) Cite: The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
5UYS	Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog Descriptor: (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase Authors: Scott, E.E, Petrunak, E.M. Deposit date: 2017-02-24 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.392 Å) Cite: Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
5UL0	S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161 Descriptor: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... Authors: Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. Deposit date: 2017-01-23 Release date: 2017-02-15 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161. Antimicrob.Agents Chemother., 63, 2019

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