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8Q2U
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BU of 8q2u by Molmil
Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308)
分子名称: 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4T
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BU of 8q4t by Molmil
Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q37
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BU of 8q37 by Molmil
Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312)
分子名称: 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4M
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BU of 8q4m by Molmil
Crystal structure of YTHDC1 in complex with Compound 25 (ZA_349)
分子名称: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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
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
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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BU of 7pjb by Molmil
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
5E9L
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BU of 5e9l by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F103
分子名称: 1H-indazol-6-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 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
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5EPR
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BU of 5epr by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED11
分子名称: (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-12
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
5EVA
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BU of 5eva by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED16
分子名称: NITRATE ION, Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 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
5EV9
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BU of 5ev9 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED15
分子名称: NITRATE ION, Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 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
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5EWW
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BU of 5eww by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED21
分子名称: NITRATE ION, Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-11-21
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with SEED21
To Be Published
5EWH
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BU of 5ewh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED19
分子名称: NITRATE ION, Peregrin, isoquinolin-5-ol
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 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
5EWC
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BU of 5ewc by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED17
分子名称: NITRATE ION, Peregrin, ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate
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 (1.75 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
5EWV
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BU of 5ewv by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED20
分子名称: 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION, Peregrin
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-11-21
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with SEED20
To Be Published

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件を2024-09-25に公開中

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