PDB: 1371 件ウェブページステータス検索Chemie searchBIRD

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5IBF	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a 分子名称: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBD	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a 分子名称: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBE	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.624 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBI	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a 分子名称: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBJ	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6 分子名称: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5EDT	Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 分子名称: 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C. 登録日 2015-10-22 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
4YZR	Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS 分子名称: HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE, Polyketide biosynthesis cytochrome P450 PksS 著者 Race, P.R, Zulkepli, A.Z, Anderson, R.J.L. 登録日 2015-03-25 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS To Be Published
5HDI	Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 分子名称: Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE 著者 Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. 登録日 2016-01-05 公開日 2016-05-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis. Sci Rep, 6, 2016
5IK1	Open state of P450cam after soaking in camphor 分子名称: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE 著者 Mahomed, M, Goodin, D.B, Lee, Y.-T. 登録日 2016-03-03 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States. J.Am.Chem.Soc., 138, 2016
5IKI	CYP106A2 WITH SUBSTRATE ABIETIC ACID 分子名称: Abietic acid, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE 著者 Janocha, S, Carius, Y, Bernhardt, R, Lancaster, C.R.D. 登録日 2016-03-03 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form. Chembiochem, 17, 2016
5JLC	Structure of CYP51 from the pathogen Candida glabrata 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, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... 著者 Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. 登録日 2016-04-26 公開日 2016-05-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
5HS1	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2016-01-24 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 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
5IT1	Streptomyces peucetius CYP105P2 complex with biphenyl compound 分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 著者 Lee, C.W, Lee, J.H. 登録日 2016-03-16 公開日 2016-06-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of Cytochrome P450 (CYP105P2) from Streptomyces peucetius and Its Conformational Changes in Response to Substrate Binding Int J Mol Sci, 17, 2016
4UHI	HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP 分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. 登録日 2015-03-24 公開日 2016-06-08 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
5IUZ	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) 分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE 著者 Jang, H.-H, Halpert, J.R, Shah, M.B. 登録日 2016-03-18 公開日 2016-06-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
5IUT	STRUCTURE OF P450 2B4 F202W MUTANT 分子名称: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE 著者 Jang, H.-H, Halpert, J.R, Shah, M.B. 登録日 2016-03-18 公開日 2016-06-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
4UHL	HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP 分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. 登録日 2015-03-24 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
5D40	Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE 分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ... 著者 Cahn, J.K.B, Dodani, S.C, Arnold, F.H. 登録日 2015-08-06 公開日 2016-06-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models. Nat.Chem., 8, 2016
5D3U	Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE 分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ... 著者 Cahn, J.K.B, Dodani, S.C, Arnold, F.H. 登録日 2015-08-06 公開日 2016-06-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models. Nat.Chem., 8, 2016
4ZFB	Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid 分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... 著者 Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. 登録日 2015-04-21 公開日 2016-07-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
4ZFA	Cytochrome P450 wild type from BM3 with bound PEG 分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... 著者 Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. 登録日 2015-04-21 公開日 2016-07-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.765 Å) 主引用文献 Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
4ZF6	Cytochrome P450 pentamutant from BM3 with bound PEG 分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... 著者 Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. 登録日 2015-04-21 公開日 2016-07-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.773 Å) 主引用文献 Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
4ZF8	Cytochrome P450 pentamutant from BM3 with bound Metyrapone 分子名称: Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ... 著者 Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. 登録日 2015-04-21 公開日 2016-07-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.766 Å) 主引用文献 Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
5CJE	Structure of CYP107L2 分子名称: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE 著者 Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W. 登録日 2015-07-14 公開日 2016-07-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of CYP107L2 To Be Published
5FOI	Crystal structure of mycinamicin VIII C21 methyl hydroxylase MycCI from Micromonospora griseorubida bound to mycinamicin VIII 分子名称: GLYCEROL, MYCINAMICIN VIII C21 METHYL HYDROXYLASE, Mycinamicin VIII, ... 著者 Demars, M, Sheng, F, Podust, L.M, Sherman, D.H. 登録日 2015-11-22 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Biochemical and Structural Characterization of Mycci, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway. Acs Chem.Biol., 11, 2016

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