4H23
 
 | | Cytochrome P411BM3-CIS cyclopropanation catalyst | | 分子名称: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | | 登録日 | 2012-09-11 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
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4HGF
 | | Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | 登録日 | 2012-10-08 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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6CSD
 | | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | 登録日 | 2018-03-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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4HGI
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | 登録日 | 2012-10-08 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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2WX2
 | | X-RAY STRUCTURE OF CYP51 FROM THE HUMAN PATHOGEN TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE | | 分子名称: | 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 | | 著者 | Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M. | | 登録日 | 2009-10-31 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
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6CIZ
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2V0M
 | | Crystal structure of human P450 3A4 in complex with ketoconazole | | 分子名称: | 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 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sjogren, T, Ekroos, M. | | 登録日 | 2007-05-15 | | 公開日 | 2007-06-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
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4H1N
 | | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | | 著者 | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | | 登録日 | 2012-09-10 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket.
Arch.Biochem.Biophys., 530, 2013
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2VN0
 | | CYP2C8DH COMPLEXED WITH TROGLITAZONE | | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ... | | 著者 | Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F. | | 登録日 | 2008-01-30 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
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4FDH
 | | Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole | | 分子名称: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | 著者 | Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. | | 登録日 | 2012-05-28 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
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4FMX
 | | Crystal Structure of Substrate-Bound P450cin | | 分子名称: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ... | | 著者 | Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L. | | 登録日 | 2012-06-18 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.554 Å) | | 主引用文献 | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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6C93
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6BWW
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4FIA
 | | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | | 分子名称: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Stout, C.D, Pikuleva, I.A, Mast, N. | | 登録日 | 2012-06-08 | | 公開日 | 2013-01-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
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2WH8
 | | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | | 分子名称: | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | | 著者 | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | 登録日 | 2009-05-01 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
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6CR2
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | 分子名称: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | 登録日 | 2018-03-16 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
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4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | 分子名称: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | 著者 | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | 登録日 | 2012-09-19 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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8AMO
 | | Crystal structure of M. tuberculosis CYP143 | | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2022-08-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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2WIY
 | | Cytochrome P450 XplA heme domain P21212 | | 分子名称: | 1,2-ETHANEDIOL, CYTOCHROME P450-LIKE PROTEIN XPLA, IMIDAZOLE, ... | | 著者 | Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G. | | 登録日 | 2009-05-18 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | 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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2WIO
 | | Structure of the histidine tagged, open cytochrome P450 Eryk from S. erythraea | | 分子名称: | ERYTHROMYCIN B/D C-12 HYDROXYLASE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Savino, C, Montemiglio, L.C, Sciara, G, Miele, A.E, Kedrew, S.G, Gianni, S, Vallone, B. | | 登録日 | 2009-05-14 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
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2WM4
 | | X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid | | 分子名称: | (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R. | | 登録日 | 2009-06-30 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
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2WHF
 | | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | | 分子名称: | 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | | 著者 | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | 登録日 | 2009-05-04 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
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2WIV
 | | Cytochrome-P450 XplA heme domain P21 | | 分子名称: | CYTOCHROME P450-LIKE PROTEIN XPLA, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G. | | 登録日 | 2009-05-18 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | 登録日 | 2018-03-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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6CVC
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