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8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JC3
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BU of 8jc3 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
Descriptor: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8HOU
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BU of 8hou by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-N-C4-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOT
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BU of 8hot by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, NH2-C7-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe
To Be Published
8HOS
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BU of 8hos by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4NO2)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOR
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BU of 8hor by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CH3)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CH3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOQ
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BU of 8hoq by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CF3)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CF3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOP
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BU of 8hop by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Nap-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOO
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BU of 8hoo by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Nap, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap
To Be Published
8HON
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BU of 8hon by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO1
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BU of 8ho1 by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant F387G
Descriptor: CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO0
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BU of 8ho0 by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HNZ
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BU of 8hnz by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HNY
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BU of 8hny by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-26
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HKJ
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BU of 8hkj by Molmil
Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O.
Deposit date:2022-11-27
Release date:2023-04-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily.
J.Inorg.Biochem., 245, 2023
8HKD
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BU of 8hkd by Molmil
Crystal structure of P450BSbeta-L78G/Q85F/F173S/G290I variant in complex with palmitoleic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, PALMITOLEIC ACID, ...
Authors:He, C, Wang, X, Li, F.
Deposit date:2022-11-25
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biocatalytic enantioselective gamma-C-H lactonization of aliphatic carboxylic acids
Nat Synth, 2023
8HGT
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BU of 8hgt by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Tian, X, Cong, Z.
Deposit date:2022-11-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
8HGE
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BU of 8hge by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
Descriptor: 12-HYDROXYDODECANOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
To Be Published
8HGD
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BU of 8hgd by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
Descriptor: Cytochrome P450, GLYCEROL, METHANOL, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
To Be Published
8HGC
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BU of 8hgc by Molmil
Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, Cytochrome P450, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
8HGB
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BU of 8hgb by Molmil
Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
Descriptor: 4-methoxy-3-oxidanyl-benzoic acid, Cytochrome P450, GLYCEROL, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
To Be Published
8HG9
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BU of 8hg9 by Molmil
Cytochrome P450 steroid hydroxylase (BaCYP106A6) from Bacillus species
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 steroid hydroxylase
Authors:Do, H, Lee, J.H.
Deposit date:2022-11-14
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure and Biochemical Analysis of a Cytochrome P450 Steroid Hydroxylase ( Ba CYP106A6) from Bacillus Species.
J Microbiol Biotechnol., 33, 2023
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-09-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
Descriptor: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-24
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GM1
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BU of 8gm1 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-24
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024

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PDB entries from 2024-05-15

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