PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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7LCR	Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 分子名称: 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide 著者 Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. 登録日 2021-01-11 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
7LCW	Aspartimidylated Lasso Peptide Lihuanodin 分子名称: Lasso Peptide Lihuanodin 著者 Link, A.J, Cao, L. 登録日 2021-01-11 公開日 2021-07-28 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Cellulonodin-2 and Lihuanodin: Lasso Peptides with an Aspartimide Post-Translational Modification. J.Am.Chem.Soc., 143, 2021
7L9D	Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability 分子名称: Cyclic peptide ALA-PHE-PRO-ILE-PRO-ITZ 著者 Hoang, H.N. 登録日 2021-01-03 公開日 2021-09-08 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability. Angew.Chem.Int.Ed.Engl., 60, 2021
6TR1	Native cytochrome c6 from Thermosynechococcus elongatus in space group H3 分子名称: Cytochrome c6, HEME C, SODIUM ION 著者 Falke, S, Feiler, C.G, Sarrou, I. 登録日 2019-12-17 公開日 2019-12-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of native cytochrome c6from Thermosynechococcus elongatus in two different space groups and implications for its oligomerization. Acta Crystallogr.,Sect.F, 76, 2020
7L96	Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability 分子名称: Cyclic peptide LEU-DLE-LEU-LEU-DPR-N9K 著者 Hoang, H.N. 登録日 2021-01-02 公開日 2023-08-09 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability. Angew.Chem.Int.Ed.Engl., 60, 2021
7L98	Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability 分子名称: Cyclic peptide ALA-MEA-PRO-ILE-PRO-ITZ 著者 Hoang, H.N. 登録日 2021-01-03 公開日 2021-09-08 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability. Angew.Chem.Int.Ed.Engl., 60, 2021
7K5Y	Cryo-EM structure of a chromatosome containing human linker histone H1.4 分子名称: DNA (197-MER), Histone H1.4, Histone H2A type 1-B/E, ... 著者 Zhou, B.-R, Bai, Y. 登録日 2020-09-17 公開日 2020-11-25 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (2.76 Å) 主引用文献 Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms. Mol.Cell, 81, 2021
6Z0I	Structure of the TREM2 transmembrane helix in complex with DAP12 in DPC micelles 分子名称: Triggering receptor expressed on myeloid cells 2 著者 Steiner, A, Schlepkow, K, Brunner, B, Steiner, H, Haass, C, Hagn, F. 登録日 2020-05-08 公開日 2020-09-16 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics. Embo J., 2020
6Z0H	Structure of TREM2 transmembrane helix K186A variant in DPC micelles 分子名称: Triggering receptor expressed on myeloid cells 2 著者 Steiner, A, Schlepkow, K, Brunner, B, Steiner, H, Haass, C, Hagn, F. 登録日 2020-05-08 公開日 2020-09-16 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics. Embo J., 39, 2020
6YY4	Parallel 17-mer DNA G-quadruplex 分子名称: DNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*AP*AP*GP*GP*GP*TP*GP*GP*GP*A)-3') 著者 Srb, P, Curtis, C, Veverka, V. 登録日 2020-05-04 公開日 2021-01-20 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Overlapping but distinct: a new model for G-quadruplex biochemical specificity. Nucleic Acids Res., 49, 2021
6ZQQ	Structure of the Pmt3-MIR domain with bound ligands 分子名称: GLYCEROL, PMT3 isoform 1 著者 Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. 登録日 2020-07-10 公開日 2020-12-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
6TH8	Reconstructing the Origins of the HemD-like fold 分子名称: cU3Sd 著者 Coles, M, Toledo-Patino, S, Chaubey, M, Hocker, B. 登録日 2019-11-19 公開日 2019-11-27 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Reconstructing the Remote Origins of a Fold Singleton from a Flavodoxin-Like Ancestor. Biochemistry, 58, 2019
6TI5	A New Structural Model of Abeta(1-40) Fibrils 分子名称: Amyloid-beta precursor protein 著者 Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. 登録日 2019-11-21 公開日 2020-07-22 最終更新日 2024-06-19 実験手法 SOLID-STATE NMR 主引用文献 Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
6TDM	Bam_5920cDD 5919nDD docking domains 分子名称: Beta-ketoacyl synthase,Beta-ketoacyl synthase 著者 Risser, F, Chagot, B. 登録日 2019-11-08 公開日 2020-08-12 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase. J.Struct.Biol., 212, 2020
7JMM	Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR 分子名称: Alkaline phosphatase, Chaperone protein DnaK, SULFATE ION 著者 Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. 登録日 2020-08-02 公開日 2020-08-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein. Proc.Natl.Acad.Sci.USA, 118, 2021
6TDD	Bam_5924 docking domain 分子名称: Beta-ketoacyl synthase 著者 Risser, F, Chagot, B. 登録日 2019-11-08 公開日 2020-08-12 最終更新日 2024-07-03 実験手法 SOLUTION NMR 主引用文献 Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase. J.Struct.Biol., 212, 2020
7JN8	Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR 分子名称: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION 著者 Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. 登録日 2020-08-04 公開日 2020-08-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.09 Å) 主引用文献 Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein. Proc.Natl.Acad.Sci.USA, 118, 2021
6TDN	Bam_5925cDD 5924nDD docking domains 分子名称: Beta-ketoacyl synthase,Beta-ketoacyl synthase 著者 Risser, F, Chagot, B. 登録日 2019-11-08 公開日 2020-08-12 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase. J.Struct.Biol., 212, 2020
6THI	Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus 分子名称: Sodium channel neurotoxin MeuNaTxalpha-1 著者 Mineev, K.S, Kuzmenkov, A.I, Khusainov, G.A, Arseniev, A.S, Vassilevski, A.A. 登録日 2019-11-20 公開日 2020-12-02 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Structure of MeuNaTx alpha-1 toxin from scorpion venom highlights the importance of the nest motif. Proteins, 2021
6TX3	HPF1 bound to catalytic fragment of PARP2 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, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 2,Poly [ADP-ribose] polymerase 2 著者 Suskiewicz, M.J, Ahel, I. 登録日 2020-01-13 公開日 2020-02-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
6YX2	Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid 分子名称: 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 著者 Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. 登録日 2020-04-30 公開日 2021-01-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
6TX1	HPF1 from Nematostella vectensis 分子名称: Predicted protein 著者 Suskiewicz, M.J, Ahel, I. 登録日 2020-01-13 公開日 2020-02-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
6ZFW	X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14 分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ... 著者 Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P. 登録日 2020-06-18 公開日 2020-12-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data. Chem.Commun.(Camb.), 56, 2020
6TZ7	Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) 分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... 著者 Fox III, D, Horanyi, P.S. 登録日 2019-08-10 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
7LCO	Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 分子名称: (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate, 3C-like proteinase 著者 Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. 登録日 2021-01-11 公開日 2021-07-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021

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