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1O76
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BU of 1o76 by Molmil
CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D, Schlichting, I.
Deposit date:2002-10-23
Release date:2002-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes
Arch.Biochem.Biophys., 409, 2003
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-07-12
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
1OG5
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BU of 1og5 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C, S-WARFARIN
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-24
Release date:2003-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
1OG2
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BU of 1og2 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2021-07-23
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
1P0V
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BU of 1p0v by Molmil
F393A mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G.
Deposit date:2003-04-11
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
1P0W
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BU of 1p0w by Molmil
F393W mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G.
Deposit date:2003-04-11
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
1P2Y
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BU of 1p2y by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
Deposit date:2003-04-16
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
1P0X
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BU of 1p0x by Molmil
F393Y mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G.
Deposit date:2003-04-11
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
1P7R
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BU of 1p7r by Molmil
CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
Deposit date:2003-05-05
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
1OXA
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BU of 1oxa by Molmil
CYTOCHROME P450 (DONOR:O2 OXIDOREDUCTASE)
Descriptor: 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 ERYF, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:1995-07-14
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450eryF involved in erythromycin biosynthesis.
Nat.Struct.Biol., 2, 1995
1PHC
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BU of 1phc by Molmil
CRYSTAL STRUCTURE OF SUBSTRATE-FREE PSEUDOMONAS PUTIDA CYTOCHROME P450
Descriptor: CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of substrate-free Pseudomonas putida cytochrome P-450.
Biochemistry, 25, 1986
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
Deposit date:2020-10-12
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
Descriptor: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
Deposit date:2020-10-13
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
8Q5J
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BU of 8q5j by Molmil
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
Descriptor: Cytochrome P450 107B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Opperman, D.J, Ebrecht, A.C.
Deposit date:2023-08-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases
Catalysis Science And Technology, 13, 2023
8QZE
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BU of 8qze by Molmil
Heme-domain BM3 variant 21B3_F87V-A328F
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
7AYX
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BU of 7ayx by Molmil
Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998
Descriptor: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Schneider, S, Schaefers, F, Gulder, T.A.M.
Deposit date:2020-11-13
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC.
Chemistry, 28, 2022
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
8SO2
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BU of 8so2 by Molmil
Human CYP3A4 bound to a substrate
Descriptor: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2023-04-28
Release date:2023-08-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2023-04-28
Release date:2023-08-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
8SPP
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BU of 8spp by Molmil
Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Y, Jordan, S, Li, B.
Deposit date:2023-05-03
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-05-02
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-04-11
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Dratch, B.D, Davis, K.M.
Deposit date:2023-05-02
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023

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数据于2024-06-19公开中

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