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PDB: 380 件
7P8B
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BU of 7p8b by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_006
分子名称: 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-02-07
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
7P87
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BU of 7p87 by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_001
分子名称: N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Dolbois, A, 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 (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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
5MPK
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BU of 5mpk by Molmil
Crystal structure of CREBBP bromodomain complexed with DK19
分子名称: CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
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 (1.9 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
5MGJ
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BU of 5mgj by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGE
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BU of 5mge by Molmil
Crystal structure of BAZ2B bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MWG
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BU of 5mwg by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ091
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
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
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
分子名称: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
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
5MGF
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BU of 5mgf by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MWH
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BU of 5mwh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ089
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5NLK
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BU of 5nlk by Molmil
Crystal structure of CREBBP bromodomain complexd with US13A
分子名称: CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-04-04
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
7O0R
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BU of 7o0r by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
To Be Published
7O2H
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BU of 7o2h by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091)
To Be Published
7O0P
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BU of 7o0p by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
To Be Published
7O28
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BU of 7o28 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
分子名称: 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
To Be Published
7O27
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BU of 7o27 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
To Be Published
7O0M
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BU of 7o0m by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023)
To Be Published
7O0Q
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BU of 7o0q by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
分子名称: 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
To Be Published
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
6T02
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BU of 6t02 by Molmil
Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169)
分子名称: (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, 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 (1.1 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6ZOT
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BU of 6zot by Molmil
Crystal structure of YTHDF3 YTH domain in complex with m6A RNA
分子名称: RNA, YTH domain-containing family protein 3
著者Bedi, R.K, Caflisch, A.
登録日2020-07-07
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Dynamic Insights into Redundant Function of YTHDF Proteins.
J.Chem.Inf.Model., 60, 2020
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

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件を2024-06-05に公開中

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