8TB0
 
 | | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | | 分子名称: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
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8SMR
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8SNH
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7KVB
 | | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | 登録日 | 2020-11-27 | | 公開日 | 2020-12-23 | | 最終更新日 | 2021-07-14 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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8SWZ
 | | PARP4 ART domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SX1
 | | PARP4 catalytic domain | | 分子名称: | Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SWY
 | | PARP4 ART domain bound to NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SX2
 | | PARP4 catalytic domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8T9Z
 | | Structural of M8C10 Fab in complex human metapneumovirus fusion protein | | 分子名称: | Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain | | 著者 | Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C. | | 登録日 | 2023-06-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.995 Å) | | 主引用文献 | Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
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7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | 分子名称: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | 分子名称: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L0D
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML188 | | 分子名称: | 3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | | 著者 | Lockbaum, G.J, Lee, J.M, Reyes, A.C, Nalivaika, E.A, Ali, A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | | 登録日 | 2020-12-11 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
Viruses, 13, 2021
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7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | 著者 | Murray, J.M. | | 登録日 | 2020-10-21 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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7KHH
 | | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | | 分子名称: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | 著者 | Murray, J.M. | | 登録日 | 2020-10-21 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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8SRX
 | | Crystal structure of BAK-BAX heterodimer with lysoPC | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | | 著者 | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | 登録日 | 2023-05-07 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SRY
 | | Crystal structure of BAK-BAX heterodimer with C12E8 | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | | 著者 | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | 登録日 | 2023-05-08 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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7KEN
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7L30
 | | Binjari virus (BinJV) | | 分子名称: | Envelope protein E, prM protein | | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-05-26 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | The structure of an infectious immature flavivirus redefines viral architecture and maturation.
Sci Adv, 7, 2021
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8BBX
 | | Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ... | | 著者 | Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W. | | 登録日 | 2022-10-14 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
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8B57
 | | Structure of prolyl endoprotease from Aspergillus niger CBS 109712 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W. | | 登録日 | 2022-09-22 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
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5KU3
 | | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | | 著者 | Murray, J.M, Huang, W. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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8SKQ
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8BEI
 | | Structure of hexameric subcomplexes (Truncation Delta2-6) of the fractal citrate synthase from Synechococcus elongatus PCC7942 | | 分子名称: | Citrate synthase | | 著者 | Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G. | | 登録日 | 2022-10-21 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Emergence of fractal geometries in the evolution of a metabolic enzyme.
Nature, 628, 2024
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8T4P
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor | | 分子名称: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-06-09 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8T4O
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | | 分子名称: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-06-09 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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