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6CIR
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BU of 6cir by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime
分子名称: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
6CIZ
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BU of 6ciz by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile
分子名称: 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
6YCH
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BU of 6ych by Molmil
Crystal structure of GcoA T296A bound to guaiacol
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCK
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BU of 6yck by Molmil
Crystal structure of GcoA T296A bound to p-vanillin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCL
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BU of 6ycl by Molmil
Crystal structure of GcoA T296G bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCP
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BU of 6ycp by Molmil
Crystal structure of GcoA F169V bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCJ
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BU of 6ycj by Molmil
Crystal structure of GcoA T296S bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCT
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BU of 6yct by Molmil
Crystal structure of GcoA F169A_T296S bound to p-vanillin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-19
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCM
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BU of 6ycm by Molmil
Crystal structure of GcoA T296S bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
7WY1
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BU of 7wy1 by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
6CHI
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BU of 6chi by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide
分子名称: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E.
登録日2018-02-22
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
1PHB
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BU of 1phb by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
分子名称: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
5GXU
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BU of 5gxu by Molmil
Cystal structure of Arabidopsis ATR2
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase 2
著者Niu, G, Liu, L.
登録日2016-09-20
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Arabidopsis thaliana NADPH-cytochrome P450 reductase 2 (ATR2) provides insight into its function
FEBS J., 284, 2017
2VN0
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BU of 2vn0 by Molmil
CYP2C8DH COMPLEXED WITH TROGLITAZONE
分子名称: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
登録日2008-01-30
公開日2008-04-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
3MGX
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BU of 3mgx by Molmil
Crystal Structure of P450 OxyD that is involved in the Biosynthesis of Vancomycin-type Antibiotics
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450 monooxygenase
著者Cryle, M.J, Schlichting, I.
登録日2010-04-07
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of oxyd, a cytochrome p450 involved in {beta}-hydroxytyrosine formation in vancomycin biosynthesis
J.Biol.Chem., 285, 2010
1PHD
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BU of 1phd by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 1-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHF
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BU of 1phf by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHE
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BU of 1phe by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 2-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
8D39
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BU of 8d39 by Molmil
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
分子名称: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-06-01
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
1PHA
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BU of 1pha by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
分子名称: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
3FWG
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BU of 3fwg by Molmil
Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
著者Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
登録日2009-01-18
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
8E5J
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BU of 8e5j by Molmil
The crystal structure of 4-n-butylbenzoic acid bound CYP199A4
分子名称: 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Doherty, D.Z, Bell, S.G, Bruning, J.B.
登録日2022-08-22
公開日2023-08-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022

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件を2024-08-28に公開中

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