5Q0F
 
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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7XJG
 | | Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom | | 分子名称: | DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ... | | 著者 | Wang, Y.J, Guan, Z.Y, Zou, T.T. | | 登録日 | 2022-04-17 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
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2MT8
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5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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1AF0
 | | SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR | | 分子名称: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide, SERRATIA PROTEASE, ... | | 著者 | Baumann, U. | | 登録日 | 1997-03-20 | | 公開日 | 1998-03-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh
To be Published
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5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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4YH2
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6IZK
 | | Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus | | 分子名称: | CHLORIDE ION, IMIDAZOLE, L(+)-TARTARIC ACID, ... | | 著者 | Sangare, L, Chen, W, Wang, C, Chen, X, Wu, M, Zhang, X, Zang, J. | | 登録日 | 2018-12-19 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus
To Be Published
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7VZR
 | | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form) | | 分子名称: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | | 著者 | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | | 登録日 | 2021-11-16 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.22 Å) | | 主引用文献 | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
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1DKH
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA, PH 6.5 | | 分子名称: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | 著者 | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | 登録日 | 1999-12-07 | | 公開日 | 2000-12-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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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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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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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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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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1DK0
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA FROM SERRATIA MARCESCENS CRYSTAL FORM P2(1), PH8 | | 分子名称: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | 登録日 | 1999-12-06 | | 公開日 | 2000-12-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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7XHO
 | | Structure of human inner kinetochore CCAN complex | | 分子名称: | CENP-W, Centromere protein C, Centromere protein H, ... | | 著者 | Tian, T, Wang, C.L, Yang, Z.S, Sun, L.F, Zang, J.Y. | | 登録日 | 2022-04-09 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
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7XHN
 | | Structure of human inner kinetochore CCAN-DNA complex | | 分子名称: | CENP-W, Centromere protein C, Centromere protein H, ... | | 著者 | Sun, L.F, Tian, T, Wang, C.L, Yang, Z.S, Zang, J.Y. | | 登録日 | 2022-04-09 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
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