8JRL
| Crystal structure of P450 TleB with an indole alkaloid | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, J, Yan, W.P. | Deposit date: | 2023-06-17 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering. Sci China Chem, 66, 2023
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8JOO
| Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-08 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNO
| Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF | Descriptor: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-06 | Release date: | 2023-11-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNC
| Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin | Descriptor: | (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-06 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JC4
| 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
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8JC3
| 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
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8HOU
| 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
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8HOT
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8HOS
| 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
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8HOR
| 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
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8HOQ
| 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
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8HOP
| 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
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8HOO
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8HON
| 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
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8HO1
| 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
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8HO0
| 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: | 2024-05-29 | 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
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8HNZ
| 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: | 2024-05-29 | 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
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8HNY
| 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: | 2024-05-29 | 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
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8HKJ
| 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: | 2024-05-29 | 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
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8HKD
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8HGT
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8HGE
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8HGD
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8HGC
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8HGB
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