PDB: 1376 件ウェブページステータス検索Chemie searchBIRD

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4ZE2	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H 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, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 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
4Z5Q	Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450 hydroxylase, ... 著者 Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Joachimiak, A, Phillips Jr, G.N, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) 登録日 2015-04-02 公開日 2015-08-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 To be Published
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
5B2Y	Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan 分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2016-02-07 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Crystal Structure of P450BM3 with decoy molecules to be published
3UA1	Crystal structure of the cytochrome P4503A4-bromoergocryptine complex 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, bromoergocryptine 著者 Sevrioukova, I.F, Poulos, T.L. 登録日 2011-10-20 公開日 2011-12-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand. J.Biol.Chem., 287, 2012
3UAS	Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene 分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. 登録日 2011-10-21 公開日 2013-01-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.939 Å) 主引用文献 Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
3TIK	Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one 分子名称: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51) 著者 Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I. 登録日 2011-08-20 公開日 2012-07-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib. Antimicrob.Agents Chemother., 56, 2012
5A5I	Cytochrome 2C9 P450 inhibitor complex 分子名称: CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Skerratt, S.E, de Groot, M.J, Phillips, C. 登録日 2015-06-18 公開日 2016-08-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
5B2U	Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan 分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2016-02-03 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of P450BM3 with decoy molecules to be published
5A1R	Crystal structure of cytochrome P450 3A4 bound to progesterone 分子名称: CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F, Poulos, T.L. 登録日 2015-05-04 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Anion-Dependent Stimulation of Cyp3A4 Monooxygenase Biochemistry, 54, 2015
7LXL	Crystal structure of human CYP3A4 bound to the testosterone dimer 分子名称: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2021-03-04 公開日 2021-04-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4. Eur.J.Med.Chem., 220, 2021
5B2X	Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan 分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2016-02-03 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of P450BM3 with decoy molecules to be published
5B2V	Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan 分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2016-02-03 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of P450BM3 with decoy molecules to be published
3VOO	Cytochrome P450SP alpha (CYP152B1) mutant A245E 分子名称: Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2012-01-31 公開日 2013-02-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
7KVI	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KVS	Human CYP3A4 bound to an inhibitor 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KVJ	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KVQ	Human CYP3A4 bound to an inhibitor 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
5B2W	Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan 分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2016-02-03 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal Structure of P450BM3 with decoy molecules to be published
3T3Z	Human Cytochrome P450 2E1 in complex with pilocarpine 分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Meneely, K.M, DeVore, N.M, Scott, E.E. 登録日 2011-07-25 公開日 2011-12-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
7N14	Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 分子名称: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2021-05-26 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.537 Å) 主引用文献 To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
7N3L	Co-complex CYP46A1 with 0420 (compound 6) 分子名称: 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ... 著者 Lane, W, Yano, J. 登録日 2021-06-01 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.631 Å) 主引用文献 Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
7N3M	Co-complex CYP46A1 with 0431 (compound 17) 分子名称: Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Lane, W, Yano, J. 登録日 2021-06-01 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.698 Å) 主引用文献 Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
3SN5	Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one 分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) 登録日 2011-06-28 公開日 2011-07-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one To be Published
3VNO	Cytochrome P450SP alpha (CYP152B1) mutant R241E 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2012-01-17 公開日 2013-02-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016

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