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6K3Q
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BU of 6k3q by Molmil
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
分子名称: (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Shoji, O, Yonemura, K.
登録日2019-05-21
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
著者Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-12
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
6L8I
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BU of 6l8i by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L8H
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BU of 6l8h by Molmil
Crystal structure of CYP97C1
分子名称: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L8J
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BU of 6l8j by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V in complex with retinal
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UEZ
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BU of 6uez by Molmil
Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol
分子名称: LANOSTEROL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2019-09-23
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A requirement for an active proton delivery network supports a compound I-mediated C-C bond cleavage in CYP51 catalysis.
J.Biol.Chem., 295, 2020
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
分子名称: Cytochrome P450 11B2, mitochondrial, HEME C, ...
著者Kuglstatter, A, Joseph, C, Benz, J.
登録日2020-02-03
公開日2020-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XZ9
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BU of 6xz9 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
分子名称: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ...
著者Kuglstatter, A, Joseph, C, Benz, J.
登録日2020-02-03
公開日2020-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6WPL
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BU of 6wpl by Molmil
Structure of Cytochrome P450tcu
分子名称: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ...
著者Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L.
登録日2020-04-27
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases.
Biochemistry, 59, 2020
6KBH
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BU of 6kbh by Molmil
Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
分子名称: Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H.
登録日2019-06-25
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
To Be Published
6WGW
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BU of 6wgw by Molmil
CYP101D1 D259E Hydroxycamphor bound
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-06
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WE6
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BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-01
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WFL
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BU of 6wfl by Molmil
Camphor soaked P450cam D251E
分子名称: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
分子名称: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hong, B.
登録日2019-07-09
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
6M4P
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BU of 6m4p by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-bound structure
分子名称: 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
登録日2020-03-08
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
6M4Q
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BU of 6m4q by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-free structure
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
登録日2020-03-08
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
6U31
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BU of 6u31 by Molmil
The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4
分子名称: 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2019-08-21
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.578 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
6L3A
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BU of 6l3a by Molmil
Cytochrome P450 107G1 (RapN) with everolimus
分子名称: Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE
著者Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6L39
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BU of 6l39 by Molmil
Cytochrome P450 107G1 (RapN)
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6UDL
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BU of 6udl by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700
分子名称: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone
著者Bart, A.G, Scott, E.E.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6KZS
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BU of 6kzs by Molmil
Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole
分子名称: Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L.
登録日2019-09-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
6KZT
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BU of 6kzt by Molmil
Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity
分子名称: Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L.
登録日2019-09-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
6L69
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BU of 6l69 by Molmil
Crystal structure of CYP154C2 from Streptomyces avermitilis
分子名称: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, L.H, Fushinobu, S.
登録日2019-10-28
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis.
Biochem.Biophys.Res.Commun., 522, 2020
6UDM
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BU of 6udm by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
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2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.075 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6L1A
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BU of 6l1a by Molmil
Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine
分子名称: (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Shoji, O, Yonemura, K.
登録日2019-09-28
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020

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件を2024-06-26に公開中

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