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7DHX
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BU of 7dhx by Molmil
Crystal structure of SARS-CoV-2 RBD binding to pangolin ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ZINC ION, ...
著者Wang, Q.H, Qi, J.X, Wu, L.L.
登録日2020-11-17
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of pangolin ACE2 engaged by COVID-19 virus
Chin.Sci.Bull., 66, 2021
7CZE
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BU of 7cze by Molmil
Crystal structure of Epstein-Barr virus (EBV) gHgL and in complex with the ligand binding domian (LBD) of EphA2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F.
登録日2020-09-08
公開日2020-10-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
7L9M
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BU of 7l9m by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
著者Karim, M.R, Schonbrunn, E.
登録日2021-01-04
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 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
7LA9
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BU of 7la9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2021-01-06
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 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
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
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
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
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
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
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
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
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
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
4K1I
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BU of 4k1i by Molmil
Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
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
4K1H
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BU of 4k1h by Molmil
Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
4K1J
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BU of 4k1j by Molmil
Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
4K1K
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BU of 4k1k by Molmil
Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
6LQV
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BU of 6lqv by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State C1)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S11-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
6LQT
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BU of 6lqt by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State E)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
6LQQ
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BU of 6lqq by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State B)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
6LQP
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BU of 6lqp by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State A)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
6LQU
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BU of 6lqu by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State A1)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S11-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7BRO
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BU of 7bro by Molmil
Crystal structure of the 2019-nCoV main protease
分子名称: 3C-like proteinase
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020

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