7X2Q
 
 | | Salvia miltiorrhiza CYP76AH3 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sugiol synthase | | Authors: | Chang, Z. | | Deposit date: | 2022-02-26 | | Release date: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Structure of CYP76AH3 at 3.67 Angstroms resolution
To Be Published
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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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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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7WYG
 | | Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid. | | Descriptor: | Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Li, F, He, C, Wang, X. | | Deposit date: | 2022-02-16 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7WY4
 | | Structure of the CYP102A1 F87A 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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7WY3
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2~{S})-2-(5-cyclohexylpentanoylamino)-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 (1.6 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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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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7WG0
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7WEX
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7WDI
 | | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
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7WDH
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDG
 | | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDE
 | | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
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7WDD
 | | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
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7W9J
 | | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ... | | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-12-09 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone
To Be Published
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7W9D
 | | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine | | Descriptor: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-12-09 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
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7W97
 | | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine | | Descriptor: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-12-09 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
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7V46
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene. | | Descriptor: | 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V45
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene. | | Descriptor: | 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V44
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene. | | Descriptor: | 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V43
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene. | | Descriptor: | 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V42
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol. | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V41
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene. | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V40
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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