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6T03
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BU of 6t03 by Molmil
Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017)
分子名称: 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ7
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BU of 6sz7 by Molmil
Crystal structure of YTHDC1 with fragment 5 (DHU_DC1_066)
分子名称: 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZR
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BU of 6szr by Molmil
Crystal structure of YTHDC1 with fragment 9 (DHU_DC1_107)
分子名称: 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZX
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BU of 6szx by Molmil
Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128)
分子名称: 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T06
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BU of 6t06 by Molmil
Crystal structure of YTHDC1 with fragment 19 (DHU_DC1_045)
分子名称: 3-imidazolidin-2-yl-2~{H}-indazole, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T0C
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BU of 6t0c by Molmil
Crystal structure of YTHDC1 with fragment 26 (DHU_DC1_198)
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-2~{H}-indazole-3-carboxamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ2
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BU of 6sz2 by Molmil
Crystal structure of YTHDC1 with fragment 3 (DHU_DC1_149)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-1,6-naphthyridin-4-amine
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T08
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BU of 6t08 by Molmil
Crystal structure of YTHDC1 with fragment 21 (DHU_DC1_131)
分子名称: SULFATE ION, YTHDC1, ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5ETB
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BU of 5etb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED13
分子名称: 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-17
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.33 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
5ETD
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BU of 5etd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED14
分子名称: 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-17
公開日2016-05-25
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
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
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
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
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
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
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
5OR9
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BU of 5or9 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13
分子名称: (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5HCL
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BU of 5hcl by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide
著者Dong, J, Weber, F.E, Caflisch, A.
登録日2016-01-04
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment.
Sci Rep, 7, 2017
5C89
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BU of 5c89 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with 917
分子名称: 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline, Peregrin
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-06-25
公開日2016-07-13
最終更新日2024-01-10
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 917
To Be Published
5C85
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BU of 5c85 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED1
分子名称: 6-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-06-25
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 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
5C87
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BU of 5c87 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED2
分子名称: NITRATE ION, Peregrin, isoquinolin-1(2H)-one
著者Zhu, J, Caflisch, A.
登録日2015-06-25
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 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
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
分子名称: Bromosporine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-06-24
公開日2015-07-08
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
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
5E9Y
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BU of 5e9y by Molmil
Crystal Structure of BAZ2B bromodomain in complex with MPD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 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 (1.65 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

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件を2024-05-15に公開中

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