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PDB: 289 件
5EWD
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BU of 5ewd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED18
分子名称: 4-phenylpyridine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5O55
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BU of 5o55 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
分子名称: NITRATE ION, Peregrin, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-05-31
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5A
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BU of 5o5a by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ032
分子名称: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
分子名称: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Zhu, J, Marchand, J.R, Caflisch, A.
登録日2017-06-15
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
分子名称: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5F
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BU of 5o5f by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
分子名称: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5H
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BU of 5o5h by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ053
分子名称: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OV8
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BU of 5ov8 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ097
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
分子名称: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
5OWW
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BU of 5oww by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-09-04
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OVB
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BU of 5ovb by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with DR46
分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
分子名称: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
To Be Published
5OWA
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BU of 5owa by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ054
分子名称: Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-31
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWM
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BU of 5owm by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT48
分子名称: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
著者Zhu, J, Caflisch, A.
登録日2017-09-01
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
3RO3
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BU of 3ro3 by Molmil
crystal structure of LGN/mInscuteable complex
分子名称: CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ...
著者Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
3WP1
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BU of 3wp1 by Molmil
Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
分子名称: Disks large homolog 4, Lethal(2) giant larvae protein homolog 2, SULFATE ION
著者Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
登録日2014-01-08
公開日2014-03-19
最終更新日2014-04-30
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
3WP0
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BU of 3wp0 by Molmil
Crystal structure of Dlg GK in complex with a phosphor-Lgl2 peptide
分子名称: Disks large homolog 4, GLYCEROL, Lethal(2) giant larvae protein homolog 2
著者Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
登録日2014-01-08
公開日2014-03-19
最終更新日2014-04-30
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
6BK4
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BU of 6bk4 by Molmil
Crystal structure of the HR-1 domain of Drosophila caprin in the P212121 space group
分子名称: Caprin homolog
著者Zhu, J, Wu, Y, Huang, X, Du, Z.
登録日2017-11-07
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a dimerization domain of Drosophila Caprin: further supports the assembly of an evolutionarily conserved ribonucleoprotein complex containing Caprin and FMRP
To Be Published
5E3G
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BU of 5e3g by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED8
分子名称: 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-10-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5DYA
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BU of 5dya by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED5
分子名称: (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-09-24
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5E3D
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BU of 5e3d by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED7
分子名称: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-10-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5DY7
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BU of 5dy7 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED4
分子名称: 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-09-24
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5DYC
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BU of 5dyc by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED6
分子名称: 7-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-09-24
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EM3
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BU of 5em3 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED9
分子名称: NITRATE ION, Peregrin, quinolin-5-ol
著者Zhu, J, Caflisch, A.
登録日2015-11-05
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016

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件を2024-06-05に公開中

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