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PDB: 133 件

5I8G
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CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5W0E
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CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
分子名称: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6FQU
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Crystal structure of CREBBP bromodomain complexd with DR09
分子名称: 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
4NYW
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Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
分子名称: (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
6AY5
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CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6M64
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Crystal structure of SMAD2 in complex with CBP
分子名称: CBP, Mothers against decapentaplegic homolog 2
著者Miyazono, K, Ito, T, Wada, H, Tanokura, M.
登録日2020-03-13
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis for transcriptional coactivator recognition by SMAD2 in TGF-beta signaling.
Sci.Signal., 13, 2020
5GH9
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Crystal structure of CBP Bromodomain with H3K56ac peptide
分子名称: CREB-binding protein, Histone H3
著者Xu, L.
登録日2016-06-19
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
7UGL
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Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30
分子名称: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase
著者Schonbrunn, E, Bikowitz, M.
登録日2022-03-24
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
5EIC
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Crystal structure of the bromodomain of human CREBBP in complex with AYC
分子名称: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-10-29
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
6FR0
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Crystal structure of CREBBP bromodomain complexd with PB08
分子名称: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-15
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
6SQE
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Crystal structure of CREBBP bromodomain complexed with KD341
分子名称: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
著者Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Crystal structure of CREBBP bromodomain complexed with KD341
To Be Published
5I8B
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CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5218 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5MQK
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Crystal structure of CREBBP bromodomain complexed with CBP019
分子名称: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5W0L
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BU of 5w0l by Molmil
CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-31
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
8FXE
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Bromodomain of CBP liganded with iCBP6
分子名称: (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-24
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
7XHE
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Crystal structure of CBP bromodomain liganded with CCS151
分子名称: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
登録日2022-04-08
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
5W0F
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CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5XXH
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Crystal Structure Analysis of the CBP
分子名称: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M.
登録日2017-07-04
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
7XI0
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Crystal structure of CBP bromodomain liganded with CCS150
分子名称: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL
著者Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
登録日2022-04-11
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
3P1F
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Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
分子名称: 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-09-30
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
To be Published
5LPJ
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Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
分子名称: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
8FXA
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BU of 8fxa by Molmil
Bromodomain of CBP liganded with iCBP4
分子名称: (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-24
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
分子名称: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MQE
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Crystal structure of CREBBP bromodomain complexed with CBP006
分子名称: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
4YK0
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Crystal structure of the CBP bromodomain in complex with CPI098
分子名称: (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Bellon, S.F, Jayaram, H.
登録日2015-03-03
公開日2016-04-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016

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