7B7I
 
 | | BAZ2A bromodomain in complex with triazole compound MS04-TN02 | | 分子名称: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | 登録日 | 2020-12-10 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7B7B
 | | BAZ2A bromodomain in complex with triazole compound MS04 | | 分子名称: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | 登録日 | 2020-12-10 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7C13
 | | beta1 domain-swapped structure of monothiol cGrx1(C16S) | | 分子名称: | Glutaredoxin, Peptide methionine sulfoxide reductase MsrA | | 著者 | Lee, K, Hwang, K.Y. | | 登録日 | 2020-05-02 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7C12
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8GLT
 | | Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | | 分子名称: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | | 著者 | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | | 登録日 | 2023-03-23 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
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7C10
 | | Dithiol cGrx1 | | 分子名称: | Glutaredoxin | | 著者 | Lee, K, Hwang, K.Y. | | 登録日 | 2020-05-02 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | | 主引用文献 | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7AQT
 | | NMR2 structure of BRD4-BD2 in complex with iBET-762 | | 分子名称: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | | 著者 | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | 登録日 | 2020-10-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
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7B93
 | | Cryo-EM structure of mitochondrial complex I from Mus musculus inhibited by IACS-2858 at 3.0 A | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one, ... | | 著者 | Chung, I, Hirst, J. | | 登録日 | 2020-12-14 | | 公開日 | 2021-05-26 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Cork-in-bottle mechanism of inhibitor binding to mammalian complex I.
Sci Adv, 7, 2021
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7BC2
 | | BAZ2A bromodomain in complex with triazole compound MS04-TN04 | | 分子名称: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | 登録日 | 2020-12-18 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7B9X
 | | NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 | | 分子名称: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha | | 著者 | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | 登録日 | 2020-12-14 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
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7BMC
 | | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | | 著者 | Centorrino, F, Andlovic, B, Ottmann, C. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
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7BM9
 | | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Centorrino, F, Andlovic, B, Ottmann, C. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
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8JW0
 | | PSI-AcpPCI supercomplex from Amphidinium carterae | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Li, Z.H, Li, X.Y, Wang, W.D. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8JZF
 | | PSI-AcpPCI supercomplex from Symbiodinium | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Li, X.Y, Li, Z.H, Wang, W.D. | | 登録日 | 2023-07-05 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8JZE
 | | PSI-AcpPCI supercomplex from Symbiodinium | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Li, Z.H, Li, X.Y, Wang, W.D. | | 登録日 | 2023-07-05 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | | 主引用文献 | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6W50
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2020-03-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
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6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | 分子名称: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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7YZC
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7YZ7
 | | Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site | | 分子名称: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | | 著者 | Pluta, R, Macias, M.J. | | 登録日 | 2022-02-18 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
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7YZB
 | | Crystal structure of the human FoxH1 bound to the TGTGGATT site | | 分子名称: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | | 著者 | Pluta, R, Macias, M.J. | | 登録日 | 2022-02-19 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
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7YZD
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7YZG
 | | Crystal structure of the Xenopus FoxH1 bound to the TGTGGATT site | | 分子名称: | DNA (5'-D(*CP*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*TP*G)-3'), Forkhead box protein H1 | | 著者 | Pluta, R, Macias, M.J. | | 登録日 | 2022-02-19 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
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7YZE
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7YZF
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7Z55
 | | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate | | 分子名称: | ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ... | | 著者 | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | | 登録日 | 2022-03-08 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.664 Å) | | 主引用文献 | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
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