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5EIC
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BU of 5eic by Molmil
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
5EP7
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BU of 5ep7 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UN32
分子名称: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.198 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
5ENG
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BU of 5eng by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UP39
分子名称: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
著者Dong, J, Caflisch, A.
登録日2015-11-09
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 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
5MMG
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BU of 5mmg by Molmil
Crystal structure of CREBBP bromodomain complexed with UT07C
分子名称: 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-09
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.23 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
5MPN
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BU of 5mpn by Molmil
Crystal structure of CREBBP bromodomain complexed with FA26
分子名称: 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.23 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
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
7Z7F
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BU of 7z7f by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_005
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-15
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z7B
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Crystal structure of YTHDF2 with compound YLI_DC1_003
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-15
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z54
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BU of 7z54 by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_006
分子名称: 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-07
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7P8F
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BU of 7p8f by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_008
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJB
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Crystal structure of YTHDC1 with compound PSI_DC1_004
分子名称: (R)-homoproline, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ8
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BU of 7pj8 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_225
分子名称: N-methyl-1H-indole-4-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJP
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BU of 7pjp by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_226
分子名称: 5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ9
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BU of 7pj9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_232
分子名称: 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJQ
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BU of 7pjq by Molmil
Crystal structure of YTHDC1 with compound T96
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJA
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BU of 7pja by Molmil
Crystal structure of YTHDC1 with compound PSI_DC1_002
分子名称: 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ7
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BU of 7pj7 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_222
分子名称: N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKE
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BU of 6yke by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_038
分子名称: (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YL9
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BU of 6yl9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_085
分子名称: 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKZ
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BU of 6ykz by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_234
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNK
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BU of 6ynk by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_068
分子名称: 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-13
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YOQ
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Crystal structure of YTHDC1 with compound VVR_DC1_002
分子名称: 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide, SULFATE ION, YTHDC1
著者von Roten, V, Bedi, R.K, Caflisch, A.
登録日2020-04-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNJ
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Crystal structure of YTHDC1 with compound DHU_DC1_046
分子名称: (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-13
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNM
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Crystal structure of YTHDC1 with compound DHU_DC1_096
分子名称: 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKJ
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Crystal structure of YTHDC1 with compound DHU_DC1_125
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022

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