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1BU7
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CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN
分子名称: 1,2-ETHANEDIOL, PROTEIN (CYTOCHROME P450), PROTOPORPHYRIN IX CONTAINING FE
著者Li, H, Poulos, T.L.
登録日1998-09-14
公開日1998-09-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
8Q5J
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BU of 8q5j by Molmil
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
分子名称: Cytochrome P450 107B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Opperman, D.J, Ebrecht, A.C.
登録日2023-08-09
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases
Catalysis Science And Technology, 13, 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
2L8M
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Reduced and CO-bound cytochrome P450cam (CYP101A1)
分子名称: CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ...
著者Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J.
登録日2011-01-19
公開日2011-02-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
1C8J
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BU of 1c8j by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F)
分子名称: CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, Y, Jiang, F, Guo, Q, Chen, X, Jin, J, Sun, Y, Rao, Z.
登録日2000-05-31
公開日2001-05-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F)
To be Published
8SO2
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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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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
8SPP
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Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Y, Jordan, S, Li, B.
登録日2023-05-03
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
2LQD
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Reduced and CO-bound cytochrome P450cam (CYP101A1)
分子名称: CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J.
登録日2012-03-02
公開日2012-05-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam).
Biochemistry, 51, 2012
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
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
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
8SS0
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BU of 8ss0 by Molmil
Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol
分子名称: 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I.
登録日2023-05-08
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14 alpha-Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QZE
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Heme-domain BM3 variant 21B3_F87V-A328F
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
著者Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
登録日2023-10-27
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
8QZF
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BU of 8qzf by Molmil
Heme-domain BM3 mutant T268E
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ...
著者Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
登録日2023-10-27
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
1CMJ
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BU of 1cmj by Molmil
CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND THEIR SER286 MUTANTS AT CRYOGENIC TEMPERATURE
分子名称: CYTOCHROME P450, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Park, S.-Y, Shiro, Y.
登録日1999-05-07
公開日2000-03-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Proton delivery in NO reduction by fungal nitric-oxide reductase. Cryogenic crystallography, spectroscopy, and kinetics of ferric-NO complexes of wild-type and mutant enzymes.
J.Biol.Chem., 275, 2000
1CL6
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BU of 1cl6 by Molmil
CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND ITS SER286 MUTANTS AT CRYOGENIC TEMPERATURE
分子名称: CYTOCHROME P450, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Park, S.-Y, Shiro, Y.
登録日1999-05-06
公開日2000-03-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Proton delivery in NO reduction by fungal nitric-oxide reductase. Cryogenic crystallography, spectroscopy, and kinetics of ferric-NO complexes of wild-type and mutant enzymes.
J.Biol.Chem., 275, 2000
1CP4
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BU of 1cp4 by Molmil
FORMATION, CRYSTAL STRUCTURE, AND REARRANGEMENT OF A CYTOCHROME P450-CAM IRON-PHENYL COMPLEX
分子名称: BENZENE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Raag, R, Poulos, T.L.
登録日1991-06-04
公開日1993-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Formation, crystal structure, and rearrangement of a cytochrome P-450cam iron-phenyl complex.
Biochemistry, 29, 1990
1CMN
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BU of 1cmn by Molmil
CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND THEIR SER286 MUTANTS AT CRYOGENIC TEMPERATURE
分子名称: CYTOCHROME P450, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Park, S.-Y, Shiro, Y.
登録日1999-05-07
公開日2000-03-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Proton delivery in NO reduction by fungal nitric-oxide reductase. Cryogenic crystallography, spectroscopy, and kinetics of ferric-NO complexes of wild-type and mutant enzymes.
J.Biol.Chem., 275, 2000
1CPT
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BU of 1cpt by Molmil
CRYSTAL STRUCTURE AND REFINEMENT OF CYTOCHROME P450-TERP AT 2.3 ANGSTROMS RESOLUTION
分子名称: CYTOCHROME P450-TERP, PROTOPORPHYRIN IX CONTAINING FE
著者Hasemann, C.A, Ravichandran, K.G, Peterson, J.A, Deisenhofer, J.
登録日1993-11-23
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure and refinement of cytochrome P450terp at 2.3 A resolution.
J.Mol.Biol., 236, 1994
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
分子名称: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-06-28
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAY
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The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
分子名称: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-06-28
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TNK
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The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
分子名称: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-08-02
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
2NNI
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CYP2C8dH complexed with montelukast
分子名称: Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2006-10-24
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 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
2NNH
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CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid
分子名称: (9cis)-retinoic acid, Cytochrome P450 2C8, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2006-10-24
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 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

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