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8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.H, Johnson, E.F.
登録日2023-05-02
公開日2023-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
著者Dratch, B.D, Davis, K.M.
登録日2023-05-02
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
8SO2
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BU of 8so2 by Molmil
Human CYP3A4 bound to a substrate
分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2023-04-28
公開日2023-08-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
8SO1
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BU of 8so1 by Molmil
Human CYP3A4 bound to three caffeine molecules
分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2023-04-28
公開日2023-08-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
8SG5
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BU of 8sg5 by Molmil
Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ...
著者Hsu, M.H, Johnson, E.F.
登録日2023-04-11
公開日2023-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2023-04-03
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
分子名称: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-24
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GM1
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Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide
分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-24
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GLZ
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Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide
分子名称: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-23
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GLY
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BU of 8gly by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid
分子名称: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-23
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GK3
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BU of 8gk3 by Molmil
Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate
分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, J, Scott, E.E.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
8GDI
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BU of 8gdi by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol
分子名称: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2023-03-06
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum.
J.Steroid Biochem.Mol.Biol., 231, 2023
8CKN
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BU of 8ckn by Molmil
Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Selvam, I.R.
登録日2023-02-16
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
To Be Published
8G36
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BU of 8g36 by Molmil
Crystal structure of F182L-CYP199A4 in complex with terephthalic acid
分子名称: CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-02-06
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
8G35
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BU of 8g35 by Molmil
Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid
分子名称: 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Lee, J.H.Z, Bell, S.G, Bruning, J.B.
登録日2023-02-06
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
8FZ8
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BU of 8fz8 by Molmil
Structure of cytochrome P450sky2
分子名称: Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Murarka, V.C, Poulos, T.L.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
8C9I
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BU of 8c9i by Molmil
Cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
分子名称: Cytochrome P450 141, HEME B/C
著者Selvam, I.R.
登録日2023-01-23
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献2.05 Angstrom structure of cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
To Be Published
8FLO
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BU of 8flo by Molmil
X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum
分子名称: Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-22
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FKB
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BU of 8fkb by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum bound to Farnesol
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-21
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FJO
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BU of 8fjo by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, AMMONIUM ION, Cytochrome P450 124A1, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-20
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FIB
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BU of 8fib by Molmil
Crystal Structure of Erwinia tracheiphila CYP114
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FIC
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BU of 8fic by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FID
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BU of 8fid by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FIE
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BU of 8fie by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 mutant - A261D
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Alexander, L.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HOP
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BU of 8hop by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Nap-Tyr, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-12-10
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-05-22に公開中

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