8STR
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![BU of 8str by Molmil](/molmil-images/mine/8str) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8E67
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![BU of 8e67 by Molmil](/molmil-images/mine/8e67) | |
8EPW
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![BU of 8epw by Molmil](/molmil-images/mine/8epw) | Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2022-10-06 | Release date: | 2023-06-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D . Commun Biol, 6, 2023
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3LZQ
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![BU of 3lzq by Molmil](/molmil-images/mine/3lzq) | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 1.41 A at pH 9 | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | Deposit date: | 2010-03-01 | Release date: | 2010-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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3LZR
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![BU of 3lzr by Molmil](/molmil-images/mine/3lzr) | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 2.73 A at pH 9 and Manganese peak wavelength (1.893 A) | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | Deposit date: | 2010-03-01 | Release date: | 2010-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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2GHA
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![BU of 2gha by Molmil](/molmil-images/mine/2gha) | Thermotoga maritima maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | T. maritima maltotriose binding protein To be Published
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8E66
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![BU of 8e66 by Molmil](/molmil-images/mine/8e66) | ETV6 H396Y variant bound to DNA containing the sequence GGAA | Descriptor: | CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ... | Authors: | Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P. | Deposit date: | 2022-08-22 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The functional role of histidine within the ETV6 ETS domain to be published
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3LZP
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![BU of 3lzp by Molmil](/molmil-images/mine/3lzp) | Crystal Structure Analysis of the 'as-isolated' P19 protein from Campylobacter jejuni at 1.65 A at pH 9.0 | Descriptor: | COPPER (II) ION, P19 protein, SULFATE ION | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | Deposit date: | 2010-03-01 | Release date: | 2010-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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2GHB
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![BU of 2ghb by Molmil](/molmil-images/mine/2ghb) | Thermotoga maritima maltotriose binding protein, ligand free form | Descriptor: | maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | T. maritima maltotriose binding protein open form To be Published
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7L6D
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![BU of 7l6d by Molmil](/molmil-images/mine/7l6d) | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, Bromosporine, ... | Authors: | Karim, M.R, Bikowitz, M.J, Chan, A, Schonbrunn, E. | Deposit date: | 2020-12-23 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LAK
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![BU of 7lak by Molmil](/molmil-images/mine/7lak) | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib | Descriptor: | Bromodomain-containing protein 2, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | Authors: | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LAJ
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![BU of 7laj by Molmil](/molmil-images/mine/7laj) | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to Ro3280 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LH8
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![BU of 7lh8 by Molmil](/molmil-images/mine/7lh8) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 | Descriptor: | (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Schonbrunn, E, Chan, A. | Deposit date: | 2021-01-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dihydropyridine Lactam Analogs Targeting BET Bromodomains. Chemmedchem, 17, 2022
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9FQ2
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![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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9FS7
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![BU of 9fs7 by Molmil](/molmil-images/mine/9fs7) | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup To Be Published
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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4P3X
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![BU of 4p3x by Molmil](/molmil-images/mine/4p3x) | Structure of the Fe4S4 quinolinate synthase NadA from Thermotoga maritima | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IRON/SULFUR CLUSTER, Quinolinate synthase A, ... | Authors: | Cherrier, M.V, Chan, A, Darnault, C, Reichmann, D, Amara, P, Ollagnier de Choudens, S, Fontecilla-Camps, J.C. | Deposit date: | 2014-03-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of Fe4S4 quinolinate synthase unravels an enzymatic dehydration mechanism that uses tyrosine and a hydrolase-type triad. J.Am.Chem.Soc., 136, 2014
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2MD5
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![BU of 2md5 by Molmil](/molmil-images/mine/2md5) | Structure of uninhibited ETV6 ETS domain | Descriptor: | Transcription factor ETV6 | Authors: | De, S, Mcintosh, L.P, Chan, A.C, Coyne, H.J, Okon, M, Graves, B.J, Murphy, M.E. | Deposit date: | 2013-08-29 | Release date: | 2013-12-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
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7NYQ
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![BU of 7nyq by Molmil](/molmil-images/mine/7nyq) | Crystal structure of the Mei-P26 NHL domain | Descriptor: | Meiotic P26, isoform C | Authors: | Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S. | Deposit date: | 2021-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26. Life Sci Alliance, 5, 2022
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7U15
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![BU of 7u15 by Molmil](/molmil-images/mine/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
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![BU of 7u16 by Molmil](/molmil-images/mine/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
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![BU of 7u17 by Molmil](/molmil-images/mine/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
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![BU of 7u10 by Molmil](/molmil-images/mine/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
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![BU of 7u11 by Molmil](/molmil-images/mine/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
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![BU of 7u13 by Molmil](/molmil-images/mine/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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