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7U12
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BU of 7u12 by Molmil
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
7U18
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BU of 7u18 by Molmil
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
7U0Z
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BU of 7u0z by Molmil
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
7U14
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BU of 7u14 by Molmil
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
8G9X
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BU of 8g9x by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Changela, A, Gorman, J, Kwong, P.D.
Deposit date:2023-02-22
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.46 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9W
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BU of 8g9w by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Changela, A, Gorman, J, Kwong, P.D.
Deposit date:2023-02-22
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.66 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9Y
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BU of 8g9y by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Changela, A, Gorman, J, Kwong, P.D.
Deposit date:2023-02-22
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.28 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
7LEL
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BU of 7lel by Molmil
Crystal structure of the second bromodomain (BD2) of human BRDT bound to Bromosporine
Descriptor: Bromodomain testis-specific protein, Bromosporine
Authors:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LEJ
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BU of 7lej by Molmil
Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib
Descriptor: Bromodomain testis-specific protein, 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:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LEM
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BU of 7lem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1
Descriptor: 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein
Authors:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LEK
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BU of 7lek by Molmil
Crystal structure of the second bromodomain (BD2) of human BRDT bound to ERK5-IN-1
Descriptor: 1,2-ETHANEDIOL, 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein, ...
Authors:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
6PPA
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BU of 6ppa by Molmil
Crystal structure of the unliganded bromodomain of human BRD7
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION
Authors:Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E.
Deposit date:2019-07-05
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
7LP0
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BU of 7lp0 by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077
Descriptor: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-02-11
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-02-16
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LPK
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BU of 7lpk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-02-12
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRO
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BU of 7lro by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105
Descriptor: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ...
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-02-17
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7TZU
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BU of 7tzu by Molmil
Crystal structure of the E. coli thiM riboswitch bound to 1-(4-(piperazin-1-yl)pyridin-3-yl)-N-(quinoxalin-6-ylmethyl)methanamine (linked compound 38)
Descriptor: 1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZS
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BU of 7tzs by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)
Descriptor: 1-(quinoxalin-6-yl)methanamine, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRA
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BU of 7mra by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRB
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BU of 7mrb by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-III-53
Descriptor: Bromodomain-containing protein 4, N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRH
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BU of 7mrh by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-259
Descriptor: Bromodomain testis-specific protein, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRG
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BU of 7mrg by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain testis-specific protein, ...
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7TZT
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BU of 7tzt by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37)
Descriptor: 6-methylquinoxaline, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZR
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BU of 7tzr by Molmil
Crystal structure of the E. coli thiM riboswitch bound to N-methyl-1-(quinoxalin-6-yl)methanamine (compound 16)
Descriptor: MAGNESIUM ION, N-methyl-1-(quinoxalin-6-yl)methanamine, POTASSIUM ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2022-02-16
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022

224931

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