PDB: 1373 件ウェブページステータス検索Chemie searchBIRD

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4TUV	X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole 分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 119, PROTOPORPHYRIN IX CONTAINING FE 著者 Madrona, Y. 登録日 2014-06-24 公開日 2015-02-18 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 NMR and X-ray Analysis of CYP119 Ligand Dependent Conformational Changes. To Be Published
9BBB	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat 著者 Sevrioukova, I.F. 登録日 2024-04-05 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir to be published
2YOO	Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis 分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... 著者 Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. 登録日 2012-10-25 公開日 2013-02-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
7OQ6	Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION 著者 Zhang, L, Zhang, S, Bechthold, A, Einsle, O. 登録日 2021-06-02 公開日 2022-06-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate. Acta Pharm Sin B, 13, 2023
4ZDY	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
7P5T	Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 分子名称: BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A. 登録日 2021-07-14 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 To Be Published
2YGX	Structure of the mixed-function P450 MycG in P21 space group 分子名称: GLYCEROL, P-450-LIKE PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Li, S, Kells, P.M, Rutaganira, F.U, Sherman, D.H, Podust, L.M. 登録日 2011-04-22 公開日 2012-02-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
4ZV8	Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2015-05-18 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
3LXH	Crystal Structure of Cytochrome P450 CYP101D1 分子名称: 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... 著者 Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. 登録日 2010-02-25 公開日 2010-06-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
1R9O	Crystal Structure of P4502C9 with Flurbiprofen bound 分子名称: Cytochrome P450 2C9, FLURBIPROFEN, GLYCEROL, ... 著者 Wester, M.R, Yano, J.K, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F. 登録日 2003-10-30 公開日 2004-06-15 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Structure of Human Cytochrome P450 2C9 Complexed with Flurbiprofen at 2.0 A Resolution J.Biol.Chem., 279, 2004
1RF9	Crystal structure of cytochrome P450-cam with a fluorescent probe D-4-AD (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide) 分子名称: 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE, Cytochrome P450-cam, ... 著者 Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B. 登録日 2003-11-07 公開日 2004-11-16 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Conformational States of Cytochrome P450cam Revealed by Trapping of synthetic Molecular Wires J.Mol.Biol., 344, 2004
1RE9	CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE) 分子名称: 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, ... 著者 Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B. 登録日 2003-11-06 公開日 2004-11-16 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires. J.Mol.Biol., 344, 2004
3MGX	Crystal Structure of P450 OxyD that is involved in the Biosynthesis of Vancomycin-type Antibiotics 分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450 monooxygenase 著者 Cryle, M.J, Schlichting, I. 登録日 2010-04-07 公開日 2010-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural characterization of oxyd, a cytochrome p450 involved in {beta}-hydroxytyrosine formation in vancomycin biosynthesis J.Biol.Chem., 285, 2010
1E9X	Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with 4-phenylimidazole 分子名称: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE 著者 Podust, L.M, Poulos, T.L, Waterman, M.R. 登録日 2000-10-30 公開日 2000-11-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors Proc.Natl.Acad.Sci.USA, 98, 2001
1EHF	CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S 分子名称: CYTOCHROME P450NOR, PROTOPORPHYRIN IX CONTAINING FE 著者 Shimizu, H, Park, S. 登録日 2000-02-21 公開日 2000-08-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of cytochrome P450nor and its mutants (Ser286-->Val, Thr) in the ferric resting state at cryogenic temperature: a comparative analysis with monooxygenase cytochrome P450s. J.Inorg.Biochem., 81, 2000
3MDR	Tranylcypromine complex of Cytochrome P450 46A1 分子名称: (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. 登録日 2010-03-30 公開日 2010-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
1EUP	X-RAY CRYSTAL STRUCTURE OF CYTOCHROME P450ERYF WITH ANDROSTENDIONE BOUND 分子名称: 4-ANDROSTENE-3-17-DIONE, CYTOCHROME P450ERYF, PROTOPORPHYRIN IX CONTAINING FE 著者 Cupp-Vickery, J.R, Anderson, R, Hatziris, Z. 登録日 2000-04-17 公開日 2000-04-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of ligand complexes of P450eryF exhibiting homotropic cooperativity. Proc.Natl.Acad.Sci.USA, 97, 2000
7ANT	Structure of CYP153A from Polaromonas sp. 分子名称: 1,2-ETHANEDIOL, Cytochrome P450, HEME C 著者 Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G. 登録日 2020-10-12 公開日 2021-04-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid Acs Catalysis, 11, 2021
7AO7	Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol 分子名称: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE 著者 Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G. 登録日 2020-10-13 公開日 2021-04-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid Acs Catalysis, 11, 2021
7AYX	Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998 分子名称: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Schneider, S, Schaefers, F, Gulder, T.A.M. 登録日 2020-11-13 公開日 2021-10-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC. Chemistry, 28, 2022
4UVR	Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51 分子名称: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ... 著者 Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M. 登録日 2014-08-08 公開日 2014-11-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
5WK9	R186AP450cam with CN and camphor 分子名称: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... 著者 Poulos, T.L, Batabyal, D. 登録日 2017-07-24 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.983 Å) 主引用文献 Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
4B7D	PikC bound to the 10-DML analog with the 3-(N,N-dimethylamino) propanoate anchoring group 分子名称: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Podust, L.M. 登録日 2012-08-17 公開日 2013-08-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Recognition of Synthetic Substrates by P450 Pikc To be Published
4B7S	PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group 分子名称: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Podust, L.M. 登録日 2012-08-21 公開日 2013-08-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
5WP2	1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN 分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... 著者 Fielding, A, Dornevil, K, Liu, A. 登録日 2017-08-03 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature. J. Am. Chem. Soc., 139, 2017

 

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