3TMZ
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![BU of 3tmz by Molmil](/molmil-images/mine/3tmz) | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | 登録日 | 2011-09-01 | 公開日 | 2012-09-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | 主引用文献 | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
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3TJS
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![BU of 3tjs by Molmil](/molmil-images/mine/3tjs) | Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | 分子名称: | Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2011-08-24 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
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4ZE3
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![BU of 4ze3 by Molmil](/molmil-images/mine/4ze3) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 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 (2.2 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
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4WNT
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![BU of 4wnt by Molmil](/molmil-images/mine/4wnt) | Human Cytochrome P450 2D6 Ajmalicine Complex | 分子名称: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | 登録日 | 2014-10-14 | 公開日 | 2015-01-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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3TK3
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![BU of 3tk3 by Molmil](/molmil-images/mine/3tk3) | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | 登録日 | 2011-08-25 | 公開日 | 2011-11-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8001 Å) | 主引用文献 | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
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3R1B
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![BU of 3r1b by Molmil](/molmil-images/mine/3r1b) | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | 分子名称: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | 著者 | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | 登録日 | 2011-03-09 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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3ZPI
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![BU of 3zpi by Molmil](/molmil-images/mine/3zpi) | PikC D50N mutant in P21 space group | 分子名称: | 1,2-ETHANEDIOL, CYTOCHROME P450 HYDROXYLASE PIKC, FORMIC ACID, ... | 著者 | Podust, L.M. | 登録日 | 2013-02-27 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Recognition of Synthetic Substrates by P450 Pikc To be Published
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3ZK5
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![BU of 3zk5 by Molmil](/molmil-images/mine/3zk5) | PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group | 分子名称: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Podust, L.M. | 登録日 | 2013-01-21 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
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8F91
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8EKT
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![BU of 8ekt by Molmil](/molmil-images/mine/8ekt) | CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1) | 分子名称: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | 著者 | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | 登録日 | 2022-09-21 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target. J.Med.Chem., 67, 2024
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8EOH
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![BU of 8eoh by Molmil](/molmil-images/mine/8eoh) | crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid | 分子名称: | 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Liu, J, Scott, E.E. | 登録日 | 2022-10-03 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281. J.Biol.Chem., 299, 2023
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1N6B
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![BU of 1n6b by Molmil](/molmil-images/mine/1n6b) | Microsomal Cytochrome P450 2C5/3LVdH Complex with a dimethyl derivative of sulfaphenazole | 分子名称: | 4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE, Cytochrome P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Wester, M.R, Johnson, E.F, Marques-Soares, C, Dansette, P.M, Mansuy, D, Stout, C.D. | 登録日 | 2002-11-09 | 公開日 | 2003-06-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence
for Multiple Substrate Binding Modes Biochemistry, 42, 2003
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4WQJ
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![BU of 4wqj by Molmil](/molmil-images/mine/4wqj) | |
3TKT
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![BU of 3tkt by Molmil](/molmil-images/mine/3tkt) | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | 登録日 | 2011-08-29 | 公開日 | 2012-02-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme Acta Crystallogr.,Sect.D, 68, 2012
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4Y8W
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![BU of 4y8w by Molmil](/molmil-images/mine/4y8w) | Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex | 分子名称: | Cytochrome P450 21-hydroxylase, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Pallan, P.S, Lei, L, Egli, M. | 登録日 | 2015-02-16 | 公開日 | 2015-04-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYMEPROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE. J.Biol.Chem., 290, 2015
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4BJK
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3TYW
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3T3S
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![BU of 3t3s by Molmil](/molmil-images/mine/3t3s) | Human Cytochrome P450 2A13 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 2A13, PROTOPORPHYRIN IX CONTAINING FE | 著者 | DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-25 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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1ODO
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![BU of 1odo by Molmil](/molmil-images/mine/1odo) | 1.85 A structure of CYP154A1 from Streptomyces coelicolor A3(2) | 分子名称: | 4-PHENYL-1H-IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 154A1 | 著者 | Podust, L.M, Kim, Y, Arase, M, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R. | 登録日 | 2003-02-19 | 公開日 | 2004-01-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Comparison of the 1.85 A Structure of Cyp154A1 from Streptomyces Coelicolor A3(2) with the Closely Related Cyp154C1 and Cyps from Antibiotic Biosynthetic Pathways. Protein Sci., 13, 2004
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3SWZ
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![BU of 3swz by Molmil](/molmil-images/mine/3swz) | Human Cytochrome P450 17A1 in complex with TOK-001 | 分子名称: | (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-14 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
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1NOO
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4ZF8
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![BU of 4zf8 by Molmil](/molmil-images/mine/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
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1OG2
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![BU of 1og2 by Molmil](/molmil-images/mine/1og2) | Structure of human cytochrome P450 CYP2C9 | 分子名称: | CYTOCHROME P450 2C9, HEME C | 著者 | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | 登録日 | 2003-04-23 | 公開日 | 2003-07-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin Nature, 424, 2003
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1OG5
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![BU of 1og5 by Molmil](/molmil-images/mine/1og5) | Structure of human cytochrome P450 CYP2C9 | 分子名称: | CYTOCHROME P450 2C9, HEME C, S-WARFARIN | 著者 | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | 登録日 | 2003-04-24 | 公開日 | 2003-07-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin Nature, 424, 2003
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3UA5
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![BU of 3ua5 by Molmil](/molmil-images/mine/3ua5) | |