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

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6CIR	Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime 分子名称: 6-oxime-17-(3-pyridyl)-androst-16-en-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 (2.648 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
5U6W	The crystal structure of 4-methylaminobenzoate-bound CYP199A4 分子名称: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-12-09 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.644 Å) 主引用文献 Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
5U6U	The crystal structure of 4-ethylthiobenzoate-bound CYP199A4 分子名称: 4-(ethylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-12-08 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.786 Å) 主引用文献 Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
5U6T	The crystal structure of 4-ethoxybenzoate-bound CYP199A4 分子名称: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-12-08 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.935 Å) 主引用文献 Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
6C94	Structure Of Cytochrome P450 4B1 (CYP4B1) Complexed with the Inhibitor HET0016 分子名称: Cytochrome P450 4B1, N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Hsu, M.-H, Johnson, E.F. 登録日 2018-01-25 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1. J. Biol. Chem., 293, 2018
6C93	Effects of the E310A Mutation of Cytochrome P450 4B1 (CYP4B1) on n-Octane binding and Heme Ruffling 分子名称: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE 著者 Hsu, M.-H, Johnson, E.F. 登録日 2018-01-25 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.674 Å) 主引用文献 Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1. J. Biol. Chem., 293, 2018
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
5YSW	Crystal Structure Analysis of Rif16 in complex with R-L 分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. 登録日 2017-11-15 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
5YSM	Crystal Structure Analysis of Rif16 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. 登録日 2017-11-14 公開日 2018-07-04 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
5OMU	Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol 分子名称: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. 登録日 2017-08-01 公開日 2018-07-04 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
5NCB	Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. 分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE 著者 Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. 登録日 2017-03-03 公開日 2018-07-04 最終更新日 2022-03-30 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
5OMS	Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. 分子名称: 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. 登録日 2017-08-01 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
5OMR	Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. 分子名称: 4-hydroxy-3-methoxybenzaldehyde, GcoA, PROTOPORPHYRIN IX CONTAINING FE 著者 Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. 登録日 2017-08-01 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
5OG9	The BM3 mutant WIFI-WC heme domain in complex with testosterone 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Gamble, C, Munro, A.W, Leys, D. 登録日 2017-07-12 公開日 2018-08-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution To Be Published
6GK5	Crystal structure of cytochrome P450 CYP267B1 from Sorangium cellulosum So ce56 分子名称: Cytochrome P450 CYP267B1 protein, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2018-05-18 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1. Biochem. J., 475, 2018
6GK6	Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid 分子名称: Cytochrome P450 CYP267B1 protein, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2018-05-18 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1. Biochem. J., 475, 2018
5Y5M	SFX structure of cytochrome P450nor: a complete dark data without pump laser (resting state) 分子名称: NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. 登録日 2017-08-09 公開日 2018-08-08 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
5ZLH	Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX 著者 Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. 登録日 2018-03-28 公開日 2018-08-15 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
5ZIS	Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX 著者 Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. 登録日 2018-03-17 公開日 2018-08-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
6FYJ	Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid 分子名称: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, MYRISTIC ACID, ... 著者 Girvan, H.M, Poddar, H, Mclean, K.J, Leys, D, Munro, A.W. 登録日 2018-03-12 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus. J. Inorg. Biochem., 188, 2018
6E8Q	S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole 分子名称: DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... 著者 Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. 登録日 2018-07-30 公開日 2018-09-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161. Antimicrob. Agents Chemother., 63, 2019
6DWM	Structure of Human Cytochrome P450 1A1 with Bergamottin 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... 著者 Bart, A.G, Scott, E.E. 登録日 2018-06-26 公開日 2018-10-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
6DWN	Structure of Human Cytochrome P450 1A1 with Erlotinib 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Bart, A.G, Scott, E.E. 登録日 2018-06-26 公開日 2018-10-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
5YM3	CYP76AH1-4pi from salvia miltiorrhiza 分子名称: 4-PHENYL-1H-IMIDAZOLE, Ferruginol synthase, MANGANESE (II) ION, ... 著者 Chang, Z. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Crystal structure of CYP76AH1 in 4-PI-bound state from Salvia miltiorrhiza. Biochem.Biophys.Res.Commun., 511, 2019
5YLW	CYP76AH1 from Salvia miltiorrhiza 分子名称: Ferruginol synthase, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE 著者 Chang, Z. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 CYP76AH1 from Salvia miltiorrhiza To Be Published

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