4OD0
 
 | | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
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4FGB
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I apo form | | Descriptor: | Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
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3UWK
 | | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | | Descriptor: | 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase | | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | | Deposit date: | 2011-12-02 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
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3UWO
 | | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | | Descriptor: | 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase | | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | | Deposit date: | 2011-12-02 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
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4FG9
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
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4FG8
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
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7Y7Y
 | | Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom | | Descriptor: | (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7W
 | | Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7Z
 | | Cryo-EM structure of human GABA transporter GAT1 bound with tiagabine in NaCl solution in an inward-open state at 3.2 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7V
 | | Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1 | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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4F5Y
 | | Crystal structure of human STING CTD complex with C-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173 | | Authors: | Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S. | | Deposit date: | 2012-05-13 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
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4F5W
 | | Crystal structure of ligand free human STING CTD | | Descriptor: | CALCIUM ION, Transmembrane protein 173 | | Authors: | Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S. | | Deposit date: | 2012-05-13 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
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7Y5X
 | | CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5T
 | | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5Z
 | | CryoEM structure of human PS2-containing gamma-secretase | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7U15
 | | TMEM106B(120-254) 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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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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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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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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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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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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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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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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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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7U14
 | | TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type C (case 8) | | 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 (4.5 Å) | | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
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