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PDB: 646 件
7KDW
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BU of 7kdw by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052)
分子名称: 1,2-ETHANEDIOL, Nucleosome-remodeling factor subunit BPTF, cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
著者Chan, A, Schonbrunn, E.
登録日2020-10-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic and Biomolecular Chemistry, 18(27), 2020
7K6R
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BU of 7k6r by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7MR5
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BU of 7mr5 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR7
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BU of 7mr7 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075
分子名称: 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR8
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BU of 7mr8 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
To Be Published
7MRC
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BU of 7mrc by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-052
分子名称: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7LEL
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BU of 7lel by Molmil
Crystal structure of the second bromodomain (BD2) of human BRDT bound to Bromosporine
分子名称: Bromodomain testis-specific protein, Bromosporine
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2021-01-14
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 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
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2021-01-14
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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
分子名称: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain testis-specific protein, ...
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRD
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BU of 7mrd by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082
分子名称: Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR6
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BU of 7mr6 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-082
分子名称: Bromodomain-containing protein 4, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: Bromodomain-containing protein 4, N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: Bromodomain testis-specific protein, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
2RUI
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BU of 2rui by Molmil
Solution Structure of the Bacillus anthracis Sortase A-substrate Complex
分子名称: Boc-LPAT*, LPXTG-site transpeptidase family protein
著者Chan, A.H, Yi, S, Jung, M.E, Clubb, R.T.
登録日2014-06-22
公開日2015-09-09
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structure of the Bacillus anthracis Sortase A Enzyme Bound to Its Sorting Signal: A FLEXIBLE AMINO-TERMINAL APPENDAGE MODULATES SUBSTRATE ACCESS.
J.Biol.Chem., 290, 2015
4MHG
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BU of 4mhg by Molmil
Crystal structure of ETV6 bound to a specific DNA sequence
分子名称: Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6
著者Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P.
登録日2013-08-29
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
5UF3
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BU of 5uf3 by Molmil
Structure Effects of the Four-Adenine Loop of the Coliphage GA Replicase RNA Operator
分子名称: phage GA operator RNA hairpin
著者Chang, A.T, Tran, M, DeJong, E, Nikonowicz, E.P.
登録日2017-01-03
公開日2017-05-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and Dynamics of the Tetra-A Loop and (A-A)-U Sequence Motif within the Coliphage GA Replicase RNA Operator.
Biochemistry, 56, 2017
8G21
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BU of 8g21 by Molmil
Reelin C-Terminal Region
分子名称: Reelin
著者Chandrahas, A.S, Marino, C, Arboleda-Velasquez, J.F.
登録日2023-02-03
公開日2023-05-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Resilience to autosomal dominant Alzheimer's disease in a Reelin-COLBOS heterozygous man.
Nat Med, 29, 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)
分子名称: 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, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献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)
分子名称: 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, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
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)
分子名称: 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, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8GR3
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BU of 8gr3 by Molmil
Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-08-31
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
8GR1
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BU of 8gr1 by Molmil
Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-08-31
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
6N81
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BU of 6n81 by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227
分子名称: A1227 Fab heavy chain, A1227 Fab light chain, Major capsid protein
著者Changela, A, Verardi, R, Kwong, P.D.
登録日2018-11-28
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.579 Å)
主引用文献Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019

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件を2024-07-17に公開中

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