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7PZA
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BU of 7pza by Molmil
Structure of the Clr-cAMP-DNA complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*GP*TP*AP*AP*CP*AP*TP*TP*AP*CP*TP*CP*GP)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*TP*AP*AP*TP*GP*TP*TP*AP*C)-3'), ...
著者Werel, L, Essen, L.-O.
登録日2021-10-11
公開日2022-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Basis of Dual Specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP Receptor Protein.
Mbio, 14, 2023
7PZB
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BU of 7pzb by Molmil
Structure of the Clr-cAMP-DNA complex
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*GP*TP*AP*AP*CP*AP*TP*TP*AP*CP*TP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*TP*AP*AP*TP*GP*TP*TP*AP*C)-3'), ...
著者Werel, L, Essen, L.-O.
登録日2021-10-11
公開日2022-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural Basis of Dual Specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP Receptor Protein.
Mbio, 14, 2023
7LAH
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BU of 7lah by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to bromosporine
分子名称: Bromodomain-containing protein 2, Bromosporine, PHOSPHATE ION
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2021-01-06
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LAU
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BU of 7lau by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-IN-1
分子名称: 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-containing protein 2
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2021-01-06
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LAI
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BU of 7lai by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2021-01-06
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7L9G
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BU of 7l9g by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2, ...
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-04
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7L9L
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BU of 7l9l by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to BI2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7L9K
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BU of 7l9k by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to LRRK2-IN-1
分子名称: 1,4-BUTANEDIOL, 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-containing protein 2
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LB4
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BU of 7lb4 by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to bromosporine
分子名称: Bromodomain-containing protein 3, Bromosporine
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7L9J
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BU of 7l9j by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to Ro3280
分子名称: 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, CHLORIDE ION
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LAZ
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BU of 7laz by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD3 bound to ERK5-IN-1
分子名称: 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-containing protein 3
著者Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
登録日2021-01-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
3ELL
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BU of 3ell by Molmil
Structure of the hemophore from Pseudomonas aeruginosa (HasAp)
分子名称: HasAp (Heme acquisition protein HasAp), PROTOPORPHYRIN IX CONTAINING FE
著者Schonbrunn, E, Rivera, M.
登録日2008-09-22
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin.
Biochemistry, 48, 2009
3FK0
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BU of 3fk0 by Molmil
E. coli EPSP synthase (TIPS mutation) liganded with S3P
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
著者Schonbrunn, E.
登録日2008-12-15
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
3FJZ
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BU of 3fjz by Molmil
E. coli EPSP synthase (T97I) liganded with S3P and glyphosate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ...
著者Schonbrunn, E.
登録日2008-12-15
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
3FJX
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BU of 3fjx by Molmil
E. coli EPSP synthase (T97I) liganded with S3P
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
著者Schonbrunn, E.
登録日2008-12-15
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
3FK1
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BU of 3fk1 by Molmil
E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ...
著者Schonbrunn, E.
登録日2008-12-15
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
4O7A
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BU of 4o7a by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514
分子名称: 1,2-ETHANEDIOL, 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7B
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BU of 4o7b by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-284847-BT
分子名称: 1,2-ETHANEDIOL, 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O76
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BU of 4o76 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101209
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O71
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BU of 4o71 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL
分子名称: 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O77
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BU of 4o77 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190
分子名称: 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O78
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BU of 4o78 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O72
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BU of 4o72 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with NU7441
分子名称: 1,2-ETHANEDIOL, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, Bromodomain-containing protein 4, ...
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O70
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BU of 4o70 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB
分子名称: 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7F
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BU of 4o7f by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527
分子名称: 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ...
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014

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