4HXW
 
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | 分子名称: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | | 登録日 | 2012-11-12 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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5ZQI
 | | Alginate lyase AlgAT5 from Polysaccharide Lyase family 7 | | 分子名称: | Alginate lyase AlgAT5, SULFATE ION | | 著者 | Su, H, Dong, S, Feng, Y.G, Ji, S.Q, Lu, M, Li, F.L. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Alginate lyase AlgAT5 from Polysaccharide Lyase family 7
To Be Published
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7Y9J
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | | 分子名称: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-24 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | 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 | | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-25 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 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 | | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | 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 | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.557 Å) | | 主引用文献 | 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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7YDB
 | | Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.472 Å) | | 主引用文献 | 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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7YDD
 | | Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.663 Å) | | 主引用文献 | 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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7YDC
 | | Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.609 Å) | | 主引用文献 | 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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7YDE
 | | Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | | 主引用文献 | 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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7YJF
 | | Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-20 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.515 Å) | | 主引用文献 | 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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7YFT
 | | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-09 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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7YJE
 | | Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion | | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-20 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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7YJG
 | | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-20 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.684 Å) | | 主引用文献 | 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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7YJH
 | | Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | | 分子名称: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | 著者 | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | | 登録日 | 2022-07-20 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | 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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6M2M
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7Y67
 | | Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein | | 分子名称: | C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | | 登録日 | 2022-06-18 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
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7Y64
 | | Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein | | 分子名称: | C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | | 登録日 | 2022-06-18 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
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7Y65
 | | Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein | | 分子名称: | C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | | 登録日 | 2022-06-18 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
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7Y66
 | | Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein | | 分子名称: | BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | | 登録日 | 2022-06-18 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
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7VZU
 | | The structure of GdmN Y82F mutant | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GdmN, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-16 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VZY
 | | The structure of GdmN complex with AMP and 20-O-methyl-19-chloroproansamitocin | | 分子名称: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VZZ
 | | The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin | | 分子名称: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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