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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
6UNG
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BU of 6ung by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2019-10-11
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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
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
2D0E
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BU of 2d0e by Molmil
Substrate assited in Oxygen Activation in Cytochrome P450 158A2
分子名称: 2-HYDROXYNAPHTHOQUINONE, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
著者Zhao, B, Waterman, M.R.
登録日2005-08-02
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2BMH
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BU of 2bmh by Molmil
MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3
分子名称: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
著者Li, H, Poulos, T.L.
登録日1994-05-17
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modeling protein-substrate interactions in the heme domain of cytochrome P450(BM-3).
Acta Crystallogr.,Sect.D, 51, 1995
2BDM
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BU of 2bdm by Molmil
Structure of Cytochrome P450 2B4 with Bound Bifonazole
分子名称: 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D.
登録日2005-10-20
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.
J.Biol.Chem., 281, 2006
2CA0
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BU of 2ca0 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
分子名称: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
著者Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
登録日2005-12-15
公開日2006-12-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
2CIB
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BU of 2cib by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
分子名称: (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
登録日2006-03-17
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2CD8
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BU of 2cd8 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
分子名称: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
著者Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
登録日2006-01-20
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BZ9
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BU of 2bz9 by Molmil
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
分子名称: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
著者Yermalitskaya, L.V, Waterman, M.R, Podust, L.M.
登録日2005-08-12
公開日2006-12-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2C6H
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BU of 2c6h by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
分子名称: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
登録日2005-11-09
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BVJ
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BU of 2bvj by Molmil
Ligand-free structure of cytochrome P450 PikC (CYP107L1)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ...
著者Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
登録日2005-06-28
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2C7X
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BU of 2c7x by Molmil
Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1)
分子名称: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
著者Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
登録日2005-11-29
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CP4
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BU of 2cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
分子名称: CAMPHOR, 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2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
2CI0
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BU of 2ci0 by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
分子名称: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
登録日2006-03-16
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2DKK
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BU of 2dkk by Molmil
Structure/Function studies of Cytochrome P450 158A1 from Streptomyces Coelicolor A3(2)
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450
著者Zhao, B.
登録日2006-04-12
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2FER
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BU of 2fer by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
分子名称: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
著者von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
登録日2005-12-16
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
2D09
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BU of 2d09 by Molmil
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
分子名称: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, B, Waterman, M.R.
登録日2005-07-30
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2CPP
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BU of 2cpp by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM
分子名称: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1987-04-06
公開日1987-07-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献High-resolution crystal structure of cytochrome P450cam.
J.Mol.Biol., 195, 1987
2FDW
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BU of 2fdw by Molmil
Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FEU
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BU of 2feu by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
著者von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
登録日2005-12-16
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
2FDU
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BU of 2fdu by Molmil
Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDV
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BU of 2fdv by Molmil
Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ...
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2F9Q
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Crystal Structure of Human Cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Rowland, P.
登録日2005-12-06
公開日2005-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Crystal Structure of Human Cytochrome P450 2D6
J.Biol.Chem., 281, 2006

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