4HGG
 
 | | Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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2ZUJ
 | | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant(D297L) | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | | Deposit date: | 2008-10-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
to be published
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4HGJ
 | | Crystal structure of P450 BM3 5F5 heme domain variant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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4HGI
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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
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4GQS
 | | Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 | | Descriptor: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone, Cytochrome P450 2C19, GLYCEROL, ... | | Authors: | Reynald, R.L, Sansen, S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2012-08-23 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19.
J.Biol.Chem., 287, 2012
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4FMX
 | | Crystal Structure of Substrate-Bound P450cin | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ... | | Authors: | Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L. | | Deposit date: | 2012-06-18 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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2ZQX
 | | Cytochrome P450BSbeta cocrystallized with heptanoic acid | | Descriptor: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | | Deposit date: | 2008-08-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
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4FIA
 | | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Stout, C.D, Pikuleva, I.A, Mast, N. | | Deposit date: | 2012-06-08 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
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4DTW
 | | cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin | | Descriptor: | Cytochrome P450 BM3 variant 8C8, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DUA
 | | cytochrome P450 BM3h-9D7 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL, cytochrome P450 BM3 variant 9D7 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DXY
 | | Crystal structures of CYP101D2 Y96A mutant | | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhou, W, Bell, S.G, Yang, W, Dale, A, Wong, L.-L. | | Deposit date: | 2012-02-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improving the affinity and activity of CYP101D2 for hydrophobic substrates
Appl.Microbiol.Biotechnol., 2012
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2YOO
 | | Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... | | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | | Deposit date: | 2012-10-25 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
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4E2P
 | | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis | | Descriptor: | Cytochrome P450 107B1 (P450CVIIB1), MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H.D, Chen, J, Wang, H, Huang, L, Zhang, H.J. | | Deposit date: | 2012-03-09 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis
To be Published
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3A51
 | | Structure of cytochrome P450 Vdh mutant (Vdh-K1) obtained by directed evolution with bound 25-hydroxyvitamin D3 | | Descriptor: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yasutake, Y, Fujii, Y, Cheon, W.K, Arisawa, A, Tamura, T. | | Deposit date: | 2009-07-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural evidence for enhancement of sequential vitamin D3 hydroxylation activities by directed evolution of cytochrome P450 vitamin D3 hydroxylase
J.Biol.Chem., 285, 2010
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3A4H
 | | Structure of cytochrome P450 vdh from Pseudonocardia autotrophica (orthorhombic crystal form) | | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D hydroxylase | | Authors: | Yasutake, Y, Fujii, Y, Cheon, W.K, Arisawa, A, Tamura, T. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural evidence for enhancement of sequential vitamin D3 hydroxylation activities by directed evolution of cytochrome P450 vitamin D3 hydroxylase
J.Biol.Chem., 285, 2010
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2ZWU
 | | Crystal Structure of Camphor Soaked Ferric Cytochrome P450cam | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | | Authors: | Sakurai, K, Shimada, H, Hayashi, T, Tsukihara, T. | | Deposit date: | 2008-12-18 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Substrate binding induces structural changes in cytochrome P450cam
Acta Crystallogr.,Sect.F, 65, 2009
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4H1N
 | | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket.
Arch.Biochem.Biophys., 530, 2013
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4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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3A4G
 | | Structure of cytochrome P450 vdh from Pseudonocardia autotrophica (trigonal crystal form) | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D hydroxylase | | Authors: | Yasutake, Y, Fujii, Y, Cheon, W.K, Arisawa, A, Tamura, T. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural evidence for enhancement of sequential vitamin D3 hydroxylation activities by directed evolution of cytochrome P450 vitamin D3 hydroxylase
J.Biol.Chem., 285, 2010
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2ZWT
 | | Crystal Structure of Ferric Cytochrome P450cam | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | | Authors: | Sakurai, K, Shimada, H, Hayashi, T, Tsukihara, T. | | Deposit date: | 2008-12-18 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Substrate binding induces structural changes in cytochrome P450cam
Acta Crystallogr.,Sect.F, 65, 2009
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3A4Z
 | | Structure of cytochrome P450 Vdh mutant (Vdh-K1) obtained by directed evolution | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Yasutake, Y, Fujii, Y, Cheon, W.K, Arisawa, A, Tamura, T. | | Deposit date: | 2009-07-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural evidence for enhancement of sequential vitamin D3 hydroxylation activities by directed evolution of cytochrome P450 vitamin D3 hydroxylase
J.Biol.Chem., 285, 2010
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3ABA
 | | Crystal structure of CYP105P1 in complex with filipin I | | Descriptor: | (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Xu, L.H, Fushinobu, S, Takamatsu, S, Wakagi, T, Ikeda, H, Shoun, H. | | Deposit date: | 2009-12-04 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Regio- and stereospecificity of filipin hydroxylation sites revealed by crystal structures of cytochrome P450 105P1 and 105D6 from Streptomyces avermitilis
J.Biol.Chem., 285, 2010
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4H24
 | | Cytochrome P450BM3-CIS cyclopropanation catalyst | | Descriptor: | Cytochrome P450-BM3 variant P450BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | | Deposit date: | 2012-09-11 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
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6NBL
 | | Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide | | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... | | Authors: | Follmer, A.H, Tripathi, S.M, Poulos, T.L. | | Deposit date: | 2018-12-07 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
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3NA0
 | | Crystal structure of human CYP11A1 in complex with 20,22-dihydroxycholesterol | | Descriptor: | (3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol, Adrenodoxin, mitochondrial, ... | | Authors: | Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-31 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
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