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PDB: 418 件
7KO0
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BU of 7ko0 by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD4 bound to SG3-179
分子名称: 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4
著者Karim, M.R, Zhu, J.Y, Schonbrunn, E.
登録日2020-11-06
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7L72
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BU of 7l72 by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD3 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 3
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2020-12-25
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 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
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
7LB0
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BU of 7lb0 by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295
分子名称: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, 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 (2.33 Å)
主引用文献Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295
To Be Published
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
7LAK
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BU of 7lak by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib
分子名称: 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
著者Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E.
登録日2021-01-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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
7LAJ
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BU of 7laj by Molmil
Crystal structure of the first bromodomain (BD1) 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
著者Karim, M.R, Bikowitz, M, Chan, A, 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 (1.854 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
2NBI
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BU of 2nbi by Molmil
Structure of the PSCD-region of the cell wall protein pleuralin-1
分子名称: HEP200 protein
著者De Sanctis, S, Wenzler, M, Kroeger, N, Malloni, W.M, Sumper, M, Rainer, D, Zadravec, P, Brunner, E, Kremer, W, Kalbitzer, H.R.
登録日2016-02-23
公開日2016-12-21
実験手法SOLUTION NMR
主引用文献PSCD Domains of Pleuralin-1 from the Diatom Cylindrotheca fusiformis: NMR Structures and Interactions with Other Biosilica-Associated Proteins.
Structure, 24, 2016
2PQ9
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BU of 2pq9 by Molmil
E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
分子名称: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
著者Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
登録日2007-05-01
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2MK0
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BU of 2mk0 by Molmil
Structure of the PSCD4-domain of the cell wall protein pleuralin-1 from the diatom Cylindrotheca fusiformis
分子名称: HEP200 protein
著者De Sanctis, S, Wenzler, M, Kroeger, N, Malloni, W.M, Sumper, M, Deutzmann, R, Zadravec, P, Brunner, E, Kremer, W, Kalbitzer, S.H.R.
登録日2014-01-22
公開日2015-02-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献PSCD Domains of Pleuralin-1 from the Diatom Cylindrotheca fusiformis: NMR Structures and Interactions with Other Biosilica-Associated Proteins.
Structure, 24, 2016
2PQC
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BU of 2pqc by Molmil
CP4 EPSPS liganded with (R)-phosphonate tetrahedral reaction intermediate analog
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
著者Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
登録日2007-05-01
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2PQB
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BU of 2pqb by Molmil
CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral intermediate analog
分子名称: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase
著者Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
登録日2007-05-01
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2PQD
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BU of 2pqd by Molmil
A100G CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
分子名称: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase
著者Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
登録日2007-05-01
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
3CRZ
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BU of 3crz by Molmil
Ferredoxin-NADP Reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP+ reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Han, H, Schonbrunn, E.
登録日2008-04-08
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa
Biochemistry, 47, 2008

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件を2024-10-09に公開中

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