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3M4V
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BU of 3m4v by Molmil
Crystal structure of the A330P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-03-12
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the properties of two single-site proline mutants of CYP102A1 (P450BM3)
Chembiochem, 11, 2010
3WSP
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BU of 3wsp by Molmil
Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan
分子名称: Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan, ...
著者Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2014-03-20
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activation of Wild-type Cytochrome P450BM3 by the Next Generation of Decoy Molecules: Enhanced Hydroxylation of Gaseous Alkanes and Crystallographic Evidence.
ACS CATALYSIS, 5, 2015
2IJ7
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BU of 2ij7 by Molmil
Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
著者Roujeinikova, A, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
5D3U
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BU of 5d3u by Molmil
Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE
分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
登録日2015-08-06
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
5D40
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Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE
分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
登録日2015-08-06
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
5EM4
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BU of 5em4 by Molmil
Structure of CYP2B4 F244W in a ligand free conformation
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2015-11-05
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
5A1P
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BU of 5a1p by Molmil
Crystal structure of cytochrome P450 3A4 bound to progesterone and citrate
分子名称: CITRIC ACID, CYTOCHROME P450 3A4, PROGESTERONE, ...
著者Sevrioukova, I, Poulos, T.
登録日2015-05-04
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anion-Dependent Stimulation of Cyp3A4 Monooxygenase.
Biochemistry, 54, 2015
8DMG
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BU of 8dmg by Molmil
CYP102A1 in Closed Conformation
分子名称: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional cytochrome P450/NADPH--P450 reductase, FLAVIN MONONUCLEOTIDE, ...
著者Su, M, Xu, H.
登録日2022-07-08
公開日2023-07-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Insight into the conformational dynamics of cytochrome P450 CYP102A1 enzyme using Cryo-EM
To Be Published
1N97
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BU of 1n97 by Molmil
Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27
分子名称: 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L.
登録日2002-11-22
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus
J.Biol.Chem., 278, 2003
4HGF
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BU of 4hgf by Molmil
Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene
分子名称: Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGH
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BU of 4hgh by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGG
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BU of 4hgg by Molmil
Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGI
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BU of 4hgi by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGJ
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BU of 4hgj by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
5KYO
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BU of 5kyo by Molmil
Crystal Structure of CYP101J2
分子名称: CYP101J2, PROTOPORPHYRIN IX CONTAINING FE
著者Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S.
登録日2016-07-22
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
1ZOA
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BU of 1zoa by Molmil
Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
著者Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2005-05-12
公開日2006-08-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
1ZO4
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Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
著者Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2005-05-12
公開日2006-08-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
2RFC
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BU of 2rfc by Molmil
Ligand bound (4-phenylimidazole) Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus
分子名称: 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R.
登録日2007-09-28
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus.
Biochemistry, 47, 2008
3EQM
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BU of 3eqm by Molmil
Crystal structure of human placental aromatase cytochrome P450 in complex with androstenedione
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2008-10-01
公開日2008-12-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for androgen specificity and oestrogen synthesis in human aromatase.
Nature, 457, 2009
4LXJ
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BU of 4lxj by Molmil
Saccharomyces cerevisiae lanosterol 14-alpha demethylase with lanosterol bound
分子名称: LANOSTEROL, Lanosterol 14-alpha demethylase, OXYGEN MOLECULE, ...
著者Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, McDonald, J, Rodriguez, A, Finer-Moore, J, Stroud, R.M.
登録日2013-07-29
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
6HN8
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Structure of BM3 heme domain in complex 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, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Jeffreys, L, Munro, A.W.M, Leys, D.
登録日2018-09-14
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Oxidation of antidiabetic compounds by cytochrome P450 BM3
To be published
8AMO
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Crystal structure of M. tuberculosis CYP143
分子名称: CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-08-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
8AMQ
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Crystal structure of the complex CYP143-FdxE from M. tuberculosis
分子名称: FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-08-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
分子名称: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-08-18
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
3OL5
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Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
分子名称: (1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-08-25
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
To be Published

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