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6HI6
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BU of 6hi6 by Molmil
The ATAD2 bromodomain in complex with compound 9
分子名称: (2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HIB
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BU of 6hib by Molmil
The ATAD2 bromodomain in complex with compound 14
分子名称: 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HI5
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BU of 6hi5 by Molmil
The ATAD2 bromodomain in complex with compound 8
分子名称: (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HIA
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BU of 6hia by Molmil
The ATAD2 bromodomain in complex with compound 13
分子名称: (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6ZD3
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BU of 6zd3 by Molmil
Crystal structure of YTHDC1 M438A mutant
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZD5
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BU of 6zd5 by Molmil
Crystal structure of YTHDC1 S378A mutant complex with m6A
分子名称: N-methyladenosine, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZDA
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BU of 6zda by Molmil
Crystal structure of YTHDC1 M438A mutant complex with m6A
分子名称: N-methyladenosine, SULFATE ION, YTHDC1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-14
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZD8
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BU of 6zd8 by Molmil
Crystal structure of YTHDC1 T379V mutant
分子名称: SULFATE ION, YTHDC1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-14
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZD9
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BU of 6zd9 by Molmil
Crystal structure of YTHDC1 apo purified using GST tag
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1
著者Bedi, R.K, Caflisch, A.
登録日2020-06-14
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6HI8
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BU of 6hi8 by Molmil
The ATAD2 bromodomain in complex with compound 11
分子名称: 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-10-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HID
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BU of 6hid by Molmil
The ATAD2 bromodomain in complex with compound 16
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6RT6
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BU of 6rt6 by Molmil
The YTH domain of YTHDC1 protein in complex with GGm6AC oligonucleotide
分子名称: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
著者Bedi, R, Sledz, P, Caflisch, A.
登録日2019-05-22
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT7
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BU of 6rt7 by Molmil
The YTH domain of YTHDC1 protein in complex with Gm6ACU oligonucleotide
分子名称: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
著者Bedi, R, Sledz, P, Caflisch, A.
登録日2019-05-22
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT5
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BU of 6rt5 by Molmil
The YTH domain of YTHDC1 protein in complex with Gm6AC oligonucleotide
分子名称: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
著者Bedi, R, Sledz, P, Caflisch, A.
登録日2019-05-22
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT4
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BU of 6rt4 by Molmil
The YTH domain of YTHDC1 protein in complex with m6ACU oligonucleotide
分子名称: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
著者Bedi, R, Sledz, P, Caflisch, A.
登録日2019-05-22
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6T0O
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BU of 6t0o by Molmil
Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004)
分子名称: 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ8
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BU of 6sz8 by Molmil
Crystal structure of YTHDC1 with fragment 6 (DHU_DC1_034)
分子名称: 6-pyrrolidin-1-yl-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 (1.47 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZN
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BU of 6szn by Molmil
Crystal structure of YTHDC1 with fragment 8 (DHU_DC1_006)
分子名称: N-carbamoylbenzamide, 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 (1.47 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZT
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BU of 6szt by Molmil
Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076)
分子名称: 6-[[methyl(thiophen-3-ylmethyl)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 (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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
6T0Z
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BU of 6t0z by Molmil
Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005)
分子名称: SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T07
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BU of 6t07 by Molmil
Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
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
6T0X
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BU of 6t0x by Molmil
Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001)
分子名称: (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T11
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BU of 6t11 by Molmil
Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218)
分子名称: N-methyl-1H-indole-7-carboxamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ1
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BU of 6sz1 by Molmil
Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-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 (1.75 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020

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