6ZI1
| Crystal structure of the isolated H. influenzae VapD toxin (D7N mutant) | Descriptor: | Endoribonuclease VapD | Authors: | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | Deposit date: | 2020-06-24 | Release date: | 2020-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System. Structure, 29, 2021
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7U16
| TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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6YTE
| CLK1 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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7P41
| Crystal Structure of human mARC1 A165T Variant | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | Authors: | Struwe, M.A, Scheidig, A.J. | Deposit date: | 2021-07-09 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Letter to the editor: The clinically relevant MTARC1 p.Ala165Thr variant impacts neither the fold nor active site architecture of the human mARC1 protein. Hepatol Commun, 6, 2022
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7U17
| TMEM106B(120-254) T185S singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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8TW0
| Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A | Descriptor: | Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ... | Authors: | Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D. | Deposit date: | 2023-08-18 | Release date: | 2024-05-29 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Heterotrimeric collagen helix with high specificity of assembly results in a rapid rate of folding. Nat.Chem., 2024
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7U11
| TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U10
| TMEM106B(120-254) protofilament from progressive supranuclear palsy (PSP) case 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U13
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 4) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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6Z1P
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5N1X
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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7QTF
| Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | Descriptor: | ACETATE ION, MALONATE ION, PlaO1, ... | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | Deposit date: | 2022-01-14 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071 Thesis, 2011
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8FAI
| Cryo-EM structure of the Agrobacterium T-pilus | Descriptor: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | Authors: | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | Deposit date: | 2022-11-27 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly. Structure, 31, 2023
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6ZJX
| Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with saccharose | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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7OQY
| Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal RNA polymerase | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-06-04 | Release date: | 2021-08-25 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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7U12
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7QWH
| X-ray structure of the adduct formed upon reaction of a vanadium hydroxyquinoline complex with RNase A | Descriptor: | 2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene, Ribonuclease pancreatic | Authors: | Merlino, A, Ferraro, G. | Deposit date: | 2022-01-25 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.573 Å) | Cite: | Interaction of VIVO-8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization Inorg Chem Front, 2023
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7U18
| TMEM106B(120-254) T185S protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TMEM106B protein | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-20 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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6N0P
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7U0Z
| High-resolution map of tau filament from progressive supranuclear palsy (PSP) case 1 | Descriptor: | Isoform Tau-E of Microtubule-associated protein tau | Authors: | FItzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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6ZCN
| Crystal structure of YTHDC1 with m6A | Descriptor: | N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-06-11 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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5N3C
| cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl(thiophen-3-yl)methylidene]azanium, cAMP dependent protein kinase inhibitor alpha-like protein, ... | Authors: | Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.772 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 2020
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6ZEI
| Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | Deposit date: | 2020-06-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
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6YTY
| CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6PQG
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