9FJD
| Expanded CVB1-VLP (Tween80) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Plavec, Z, Butcher, S.J. | Deposit date: | 2024-05-31 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates. Res Sq, 2024
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9FJC
| Compact CVB1-VLP (Tween80) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Plavec, Z, Butcher, S.J. | Deposit date: | 2024-05-30 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates. Res Sq, 2024
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9FJ4
| Structure of ubiquitin bound to coiled coil-UIM form 1 | Descriptor: | 3-[1-(2-oxidanylideneethyl)-1,2,3-triazol-4-yl]propanal, GLU-GLN-GLU-ILE-GLU-GLU-LEU-GLU-ILE-GLU-ILE-ALA-ILE-LEU-LEU-SER-GLU-ILE-GLU-GLY, LYS-GLN-LYS-ILE-ALA-ALA-LEU-LYS-TYR-LYS-ILE-ALA-ALA-LEU-LYS-GLN-LYS-ILE-GLN, ... | Authors: | Paredes Vergara, P, Huang, D.T. | Deposit date: | 2024-05-30 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | An engineered ubiquitin binding coiled coil peptide Chem Sci, 2024
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9FJ3
| Structure of ubiquitin bound of coiled-coil UIM form 2 | Descriptor: | 3-[1-(2-oxidanylideneethyl)-1,2,3-triazol-4-yl]propanal, GLU-GLN-GLU-ILE-GLU-GLU-LEU-GLU-ILE-GLU-ILE-ALA-ILE-LEU-LEU-SER-GLU-ILE-GLU-GLY, LYS-GLN-LYS-ILE-ALA-ALA-LEU-LYS-TYR-LYS-ILE-ALA-ALA-LEU-LYS-GLN-LYS-ILE, ... | Authors: | Paredes Vergara, P, Huang, D.T. | Deposit date: | 2024-05-30 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An engineered ubiquitin binding coiled coil peptide Chem Sci, 2024
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9FIL
| Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FIJ
| Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FII
| Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FIH
| Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FIF
| Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FHP
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9FHE
| hKHK-C in complex with BI-9787 (pH 5.5) | Descriptor: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2024-05-27 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112, 2024
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9FHD
| hKHK-C in fomplex with BI-9787 | Descriptor: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase, SULFATE ION | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2024-05-27 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112, 2024
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9FH9
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9FGU
| SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76-77 single chain fragment | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | Deposit date: | 2024-05-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure of scFv76-77 in complex with SARS-CoV-2 Omicron Spike protein To Be Published
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9FGT
| SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76 (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain fragment scFv76, Spike glycoprotein,Fibritin | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | Deposit date: | 2024-05-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of scFv76 in complex with SARS-CoV-2 Omicron Spike protein To Be Published
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9FGS
| SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv41N (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single Chain fragment scFv41N, Spike glycoprotein,Fibritin | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | Deposit date: | 2024-05-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of scFv41N in complex with SARS-CoV-2 Spike protein To Be Published
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9FGR
| SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, scFv76-77 single chain fragment | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of scFv76-77 in complex with SARS-CoV-2 Spike protein To Be Published
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9FGQ
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9FGP
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9FGO
| Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site | Descriptor: | CHLORIDE ION, Polyprotein, ZINC ION | Authors: | Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-05-24 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site To Be Published
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9FFH
| Native capsid of Rhodobacter microvirus Ebor computed with I4 symmetry | Descriptor: | Major capsid protein | Authors: | Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A. | Deposit date: | 2024-05-23 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography. Biorxiv, 2024
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9FFG
| Empty capsid of Rhodobacter microvirus Ebor computed with I4 symmetry | Descriptor: | Major capsid protein | Authors: | Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Byrom, L, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A. | Deposit date: | 2024-05-23 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography. Biorxiv, 2024
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9FFF
| dsDNA-FANCD2-FANCI complex | Descriptor: | DNA (32-MER), DNA (33-MER), Fanconi anemia complementation group I, ... | Authors: | Alcon, P, Passmore, L.A. | Deposit date: | 2024-05-23 | Release date: | 2024-07-31 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | FANCD2-FANCI surveys DNA and recognizes double- to single-stranded junctions Nature, 2024
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9FFD
| STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldo-keto reductase family 1 member C3, ... | Authors: | Frydenvang, K, Hussain, S, Mirza, O.A. | Deposit date: | 2024-05-23 | Release date: | 2024-08-21 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications. Acs Med.Chem.Lett., 15, 2024
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9FFB
| ss-dsDNA-FANCD2-FANCI complex | Descriptor: | DNA (5'-D(P*CP*GP*AP*TP*GP*TP*CP*TP*CP*TP*AP*GP*AP*CP*AP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*CP*TP*GP*TP*CP*TP*AP*GP*AP*GP*AP*CP*AP*TP*CP*GP*AP*T)-3'), Fanconi anemia complementation group I, ... | Authors: | Alcon, P, Passmore, L.A. | Deposit date: | 2024-05-22 | Release date: | 2024-07-31 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | FANCD2-FANCI surveys DNA and recognizes double- to single-stranded junctions Nature, 2024
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