4HGI
| Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | 著者 | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | 登録日 | 2012-10-08 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
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4KEY
| Structure of P450 BM3 A82F F87V in complex with omeprazole | 分子名称: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Leys, D. | 登録日 | 2013-04-26 | 公開日 | 2013-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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3CBD
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4K9T
| Complex of CYP3A4 with a desoxyritonavir analog | 分子名称: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2013-04-21 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
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2ZQJ
| Substrate-Free Form of Cytochrome P450BSbeta | 分子名称: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | 登録日 | 2008-08-11 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis. J.Biol.Inorg.Chem., 2010
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2Z97
| Crystal Structure of Ferric Cytochrome P450cam Reconstituted with 7-Methyl-7-depropionated Hemin | 分子名称: | 7-METHYL-7-DEPROPIONATEHEMIN, CAMPHOR, Cytochrome P450-cam, ... | 著者 | Hayashi, T, Harada, K, Sakurai, K, Hirota, S, Shimada, H. | 登録日 | 2007-09-18 | 公開日 | 2008-09-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A role of the heme-7-propionate side chain in cytochrome P450cam as a gate for regulating the access of water molecules to the substrate-binding site J.Am.Chem.Soc., 131, 2009
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3CXZ
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4I4G
| Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir | 分子名称: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2012-11-27 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.718 Å) | 主引用文献 | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir. J.Med.Chem., 56, 2013
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3AWM
| Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position J.Biol.Chem., 286, 2011
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3AWP
| Cytochrome P450SP alpha (CYP152B1) mutant F288G | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
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3AWQ
| Cytochrome P450SP alpha (CYP152B1) mutant L78F | 分子名称: | Fatty acid alpha-hydroxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
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4KF2
| Structure of the P4509 BM3 A82F F87V heme domain | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Leys, D. | 登録日 | 2013-04-26 | 公開日 | 2013-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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4K9X
| Complex of human CYP3A4 with a desoxyritonavir analog | 分子名称: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2013-04-21 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
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3B6H
| Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | 分子名称: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | 著者 | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | 登録日 | 2007-10-29 | 公開日 | 2007-11-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
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4I4H
| Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2012-11-27 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir. J.Med.Chem., 56, 2013
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3CV9
| Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3 | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. | 登録日 | 2008-04-18 | 公開日 | 2008-11-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1 Biochemistry, 47, 2008
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4I8V
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3A1L
| Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | 分子名称: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | 登録日 | 2009-04-09 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules J.Am.Chem.Soc., 131, 2009
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3ABB
| Crystal structure of CYP105D6 | 分子名称: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Xu, L.H, Fushinobu, S, Takamatsu, S, Wakagi, T, Ikeda, H, Shoun, H. | 登録日 | 2009-12-04 | 公開日 | 2010-04-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Regio- and stereospecificity of filipin hydroxylation sites revealed by crystal structures of cytochrome P450 105P1 and 105D6 from Streptomyces avermitilis J.Biol.Chem., 285, 2010
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3A50
| Structure of cytochrome P450 Vdh mutant (Vdh-K1) obtained by directed evolution with bound vitamin D3 | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, ACETATE ION, CALCIUM ION, ... | 著者 | Yasutake, Y, Fujii, Y, Cheon, W.K, Arisawa, A, Tamura, T. | 登録日 | 2009-07-24 | 公開日 | 2010-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural evidence for enhancement of sequential vitamin D3 hydroxylation activities by directed evolution of cytochrome P450 vitamin D3 hydroxylase J.Biol.Chem., 285, 2010
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4KPA
| Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) | 分子名称: | Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L. | 登録日 | 2013-05-13 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
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3CXY
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4L49
| Structure of L358A mutant of P450cam bound to camphor | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Batabyal, D, Li, H, Poulos, T.L. | 登録日 | 2013-06-07 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | 主引用文献 | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4B
| Structure of L358A/K178G/D182N mutant of P450cam bound to camphor | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Batabyal, D, Li, H, Poulos, T.L. | 登録日 | 2013-06-07 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L6G
| Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole | 分子名称: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Madrona, Y, Poulos, T.L. | 登録日 | 2013-06-12 | 公開日 | 2013-07-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.371 Å) | 主引用文献 | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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