7WY2
 
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY1
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7XBO
 | | Crystal Structure of 10-dml-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids
Nat Commun, 2023
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7XBN
 | | Crystal Structure of YC-17-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | | Descriptor: | 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 PikC, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids
Nat Commun, 2023
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7WZM
 | | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis in complex with Oleic acid | | Descriptor: | OLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | | Authors: | Kim, V.C, Kim, D.G, Lee, S.G, Lee, G.H, Lee, S.A, Kang, L.W. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis in complex with Oleic acid
To Be Published
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4DUE
 | | cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6 | | 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 (1.7 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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7XBM
 | | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | | Descriptor: | CACODYLATE ION, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Nat Commun, 2023
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7WZL
 | | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | | Authors: | Kim, V.C, Kim, D.G, Lee, S.G, Lee, G.H, Lee, S.A, Kang, L.W. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis
To Be Published
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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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7X53
 | | cytochrome P450 monooxygenase | | Descriptor: | Cytochrome P450 family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yan, Y, Zheng, C. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structure of cytochrome P450 monooxygenase at 3.35 Angstroms resolution.
To Be Published
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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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7X2Q
 | | Salvia miltiorrhiza CYP76AH3 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sugiol synthase | | Authors: | Chang, Z. | | Deposit date: | 2022-02-26 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Structure of CYP76AH3 at 3.67 Angstroms resolution
To Be Published
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4FDH
 | | Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole | | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. | | Deposit date: | 2012-05-28 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
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7Y9J
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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7Y9K
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-25 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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4EK1
 | | Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Lee, Y.-T, Goodin, D.B. | | Deposit date: | 2012-04-08 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
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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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4H23
 | | Cytochrome P411BM3-CIS cyclopropanation catalyst | | Descriptor: | Cytochrome P450-BM3 variant P411BM3-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 (3.3 Å) | | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
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4HGF
 | | Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 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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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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7Y9O
 | | Crystal structure of a CYP109B4 variant from Bacillus sonorensis | | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-25 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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7Y97
 | | Crystal structure of CYP109B4 from Bacillus Sonorensis | | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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7Y98
 | | Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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7YD9
 | | Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | Deposit date: | 2022-07-04 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7YDA
 | | Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | Deposit date: | 2022-07-04 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
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