3WK2
 
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6YCN
 | | Crystal structure of GcoA F169A bound to o-vanillin | | 分子名称: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YBA
 | | HAdV-F41 Capsid | | 分子名称: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | 著者 | Perez Illana, M, Martinez, M, Mangroo, C, Brown, M, Marabini, R, San Martin, C. | | 登録日 | 2020-03-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Cryo-EM structure of enteric adenovirus HAdV-F41 highlights structural variations among human adenoviruses.
Sci Adv, 7, 2021
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6Y99
 | | hSTING mutant R232K in complex with 2',3'-cGAMP | | 分子名称: | Stimulator of interferon genes protein, cGAMP | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-03-06 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3WLK
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7LSZ
 | | Hsp90a N-terminal inhibitor | | 分子名称: | Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone | | 著者 | Balch, M, Peng, S, Deng, J, Matts, R. | | 登録日 | 2021-02-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6Y9H
 | | Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2), DIMETHYL SULFOXIDE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Abazi, N. | | 登録日 | 2020-03-09 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2)
To be published
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7LT0
 | | Hsp90a N-terminal inhibitor | | 分子名称: | (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha | | 著者 | Balch, M, Peng, S, Deng, J, Matts, R. | | 登録日 | 2021-02-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YDB
 | | Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YDZ
 | | Human wtSTING in complex with 3',3'-cGAMP | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-03-23 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YEA
 | | Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP | | 分子名称: | 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-03-24 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YF8
 | | DYRK1A with PST001 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | | 著者 | Rothweiler, U. | | 登録日 | 2020-03-26 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | DYRK1A with PST001
To Be Published
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6YHG
 | | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) | | 分子名称: | 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-29 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
To be published
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3XIS
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3ZDS
 | | Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate with oxygen. | | 分子名称: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID, 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid, 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid, ... | | 著者 | Jeoung, J.-H, Bommer, M, Lin, T.-Y, Dobbek, H. | | 登録日 | 2012-11-30 | | 公開日 | 2013-07-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Visualizing the Substrate-, Superoxo-, Alkylperoxo- and Product-Bound States at the Non-Heme Fe(II) Site of Homogentisate Dioxygenase
Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZLP
 | | Crystal structure of Schistosoma mansoni Peroxiredoxin 1 C48P mutant form with four decamers in the asymmetric unit | | 分子名称: | THIOREDOXIN PEROXIDASE | | 著者 | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | | 登録日 | 2013-02-04 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.515 Å) | | 主引用文献 | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
J.Mol.Biol., 425, 2013
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6YHJ
 | | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
To be published
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3ZFF
 | | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | | 分子名称: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, VP1, VP2, ... | | 著者 | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | | 登録日 | 2012-12-11 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6YPP
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7LS3
 | | Co-complex CYP46A1 with 8114 (3f) | | 分子名称: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lane, W, Yano, J. | | 登録日 | 2021-02-17 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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6YN1
 | | Crystal structure of histone chaperone APLF acidic domain bound to the histone H2A-H2B-H3-H4 octamer | | 分子名称: | Aprataxin and PNK-like factor, CHLORIDE ION, GLYCEROL, ... | | 著者 | Corbeski, I, Guo, X, Van Ingen, H, Sixma, T.K. | | 登録日 | 2020-04-10 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF.
Sci Adv, 8, 2022
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7LRL
 | | Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | | 分子名称: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | | 著者 | Lane, W, Yano, J. | | 登録日 | 2021-02-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | | 主引用文献 | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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7LS4
 | | Co-complex CYP46A1 with 9129 (1b) | | 分子名称: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone | | 著者 | Lane, W, Yano, J. | | 登録日 | 2021-02-17 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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6Z7X
 | | Insulin analytical antibody OXI-005 Fab | | 分子名称: | OXI-005 Fab Heavy chain, OXI-005 Fab Light chain | | 著者 | Johansson, E. | | 登録日 | 2020-06-02 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
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6Z7Y
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