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6GLS
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BU of 6gls by Molmil
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献hMTH1 N33G in complex with TH scaffold 1.
To Be Published
6GLT
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BU of 6glt by Molmil
Crystal structure of hMTH1 D120N in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, DIMETHYL SULFOXIDE
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献in progress
To Be Published
6GLJ
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BU of 6glj by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献hMTH1 F27A in complex with TH scaffold 1.
To Be Published
6GLO
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BU of 6glo by Molmil
Crystal structure of hMTH1 N33G in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献hMTH1 N33G
To Be Published
6GLH
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BU of 6glh by Molmil
Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献hMTH1 F27A in complex with LW14
To Be Published
6GLP
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BU of 6glp by Molmil
Crystal structure of hMTH1 N33G in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献hMTH1 N33G in complex with LW14
To Be Published
6GLV
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BU of 6glv by Molmil
Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献hMTH1 D120N in complex with TH scaffold 1
To Be Published
6GLI
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BU of 6gli by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献hMTH1 F27A in complex with TH scaffold 1
To Be Published
6GLN
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BU of 6gln by Molmil
Crystal structure of hMTH1 N33A in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献hMTH1 N33A in complex with TH scaffold 1
To Be Published
5F36
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BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
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 (1.5 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
7ACD
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BU of 7acd by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2020-09-10
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
6EPV
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BU of 6epv by Molmil
The ATAD2 bromodomain in complex with compound 5
分子名称: (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPX
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BU of 6epx by Molmil
The ATAD2 bromodomain in complex with compound 3
分子名称: (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPU
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BU of 6epu by Molmil
The ATAD2 bromodomain in complex with compound 2
分子名称: (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPT
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BU of 6ept by Molmil
The ATAD2 bromodomain in complex with compound 12
分子名称: (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, ...
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPJ
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BU of 6epj by Molmil
The ATAD2 bromodomain in complex with compound 6
分子名称: (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-11
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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
6Y4G
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BU of 6y4g by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Sinefungin
分子名称: ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
著者Bedi, R.K, Omori, E, Caflisch, A.
登録日2020-02-20
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6ZD7
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BU of 6zd7 by Molmil
Crystal structure of YTHDC1 T379V 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 (1.75 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
6ZD4
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BU of 6zd4 by Molmil
Crystal structure of YTHDC1 S378A mutant
分子名称: 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 (1.4 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
6HIE
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BU of 6hie by Molmil
The ATAD2 bromodomain in complex with compound 17
分子名称: (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-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 (2.05 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HI4
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BU of 6hi4 by Molmil
The ATAD2 bromodomain in complex with compound 7
分子名称: (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-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 (1.69 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HI7
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BU of 6hi7 by Molmil
The ATAD2 bromodomain in complex with compound 10
分子名称: (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-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 (1.743 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HIC
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BU of 6hic by Molmil
The ATAD2 bromodomain in complex with compound 15
分子名称: (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-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 (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
6HI3
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BU of 6hi3 by Molmil
The ATAD2 bromodomain in complex with compound 4
分子名称: 2-azanyl-~{N}-(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2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020

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