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

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6BLD	Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone 分子名称: (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, Cytochrome P450 268A2 Cyp268A2, PROTOPORPHYRIN IX CONTAINING FE 著者 Child, S.A, Bruning, J.B, Bell, S.G. 登録日 2017-11-09 公開日 2018-01-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.997 Å) 主引用文献 Structural and functional characterisation of the cytochrome P450 enzyme CYP268A2 from Biochem. J., 475, 2018
5KDZ	The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate 分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-06-08 公開日 2018-02-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.424 Å) 主引用文献 The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate To Be Published
5KDB	The crystal structure of 4-isopropylbenzoate-bound CYP199A4 分子名称: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-06-07 公開日 2018-02-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.644 Å) 主引用文献 The crystal structure of 4-isopropylbenzoate-bound CYP199A4 To Be Published
5KDY	The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate 分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-06-08 公開日 2018-02-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.589 Å) 主引用文献 The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate To Be Published
5XA3	Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine 分子名称: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... 著者 Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2017-03-10 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives. Angew. Chem. Int. Ed. Engl., 56, 2017
5MNS	Structural and functional characterization of OleP in complex with 6DEB in sodium formate 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
5UVB	The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 分子名称: 4-cyclopropylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2017-02-20 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 To Be Published
5MNV	Structural and functional characterization of OleP in complex with 6DEB in PEG 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Parisi, G, Savino, C, Montemiglio, L.C. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
5UYS	Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog 分子名称: (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase 著者 Scott, E.E, Petrunak, E.M. 登録日 2017-02-24 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.392 Å) 主引用文献 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
6F8C	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone 分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F85	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine 分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F8A	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine 分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F88	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone 分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
5O4K	Crystal structure of P450 CYP121 in complex with compound 6b. 分子名称: 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C.W. 登録日 2017-05-29 公開日 2018-03-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
5OP9	The crystal structure of P450 CYP121 in complex with lead compound 7e 分子名称: 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C.W. 登録日 2017-08-09 公開日 2018-03-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.455 Å) 主引用文献 Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
5O4L	Crystal structure of P450 CYP121 in complex with compound 6a. 分子名称: 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C.W. 登録日 2017-05-29 公開日 2018-03-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
5OPA	The crystal structure of P450 CYP121 in complex with lead compound 7b 分子名称: 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... 著者 Levy, C.W. 登録日 2017-08-09 公開日 2018-03-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.345 Å) 主引用文献 Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
5XNT	Structure of CYP106A2 from Bacillus sp. PAMC 23377 分子名称: Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE 著者 Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H. 登録日 2017-05-24 公開日 2018-04-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377. J. Microbiol. Biotechnol., 27, 2017
5XW2	Crystal structure of the Hydroxylase HmtN in C 1 2 1 crystal form 分子名称: Cytochrome P450 107B1 (P450CVIIB1), GLYCEROL, MAGNESIUM ION, ... 著者 Zhang, H.D, Zhang, H.J. 登録日 2017-06-29 公開日 2018-04-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 Molecular characterization of the hydroxylase HmtN at 1.3 angstrom resolution. Biochem. Biophys. Res. Commun., 2017
5WBG	Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz 分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2017-06-29 公開日 2018-05-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
6FSH	Crystal structure of hybrid P450 OxyBtei(BC/FGvan) 分子名称: ACETATE ION, OxyB protein, POTASSIUM ION, ... 著者 Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J. 登録日 2018-02-19 公開日 2018-05-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach. J. Inorg. Biochem., 185, 2018
6GII	The crystal structure of Tepidiphilus thermophilus P450 heme domain 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Levy, C.W. 登録日 2018-05-11 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The crystal structure of P450-TT heme-domain provides the first structural insights into the versatile class VII P450s. Biochem. Biophys. Res. Commun., 501, 2018
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
6CHI	Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide 分子名称: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase 著者 Scott, E.E. 登録日 2018-02-22 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.698 Å) 主引用文献 Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
6CIZ	Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile 分子名称: 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase 著者 Scott, E.E, Fehl, C. 登録日 2018-02-25 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018

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