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7QWO
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BU of 7qwo by Molmil
ATAD2 in complex with FragLite6
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-25
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QX1
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BU of 7qx1 by Molmil
ATAD2 in complex with FragLite7
分子名称: 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-26
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QXT
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BU of 7qxt by Molmil
ATAD2 in complex with FragLite10
分子名称: 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYL
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BU of 7qyl by Molmil
ATAD2 in complex with FragLite23
分子名称: 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUK
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BU of 7quk by Molmil
ATAD2 in complex with FragLite1
分子名称: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUM
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BU of 7qum by Molmil
ATAD2 in complex with FragLite2
分子名称: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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BU of 7qyk by Molmil
ATAD2 in complex with FragLite18
分子名称: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
分子名称: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-31
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R05
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BU of 7r05 by Molmil
ATAD2 in complex with PepLite-Ile
分子名称: (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R0Y
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BU of 7r0y by Molmil
ATAD2 in complex with PepLite-Glu
分子名称: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZZ
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BU of 7qzz by Molmil
ATAD2 in complex with FragLite31
分子名称: 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R00
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BU of 7r00 by Molmil
ATAD2 in complex with FragLite33
分子名称: 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZY
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BU of 7qzy by Molmil
ATAD2 in complex with FragLite29
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
6SG4
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BU of 6sg4 by Molmil
Structure of CDK2/cyclin A M246Q, S247EN
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A.
登録日2019-08-02
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
著者Abad-Zapatero, C.
登録日2010-07-22
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
分子名称: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
著者Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
登録日2010-06-09
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
分子名称: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
著者Muckelbauer, J.K, Chang, C.-H.
登録日2000-09-11
公開日2001-10-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
分子名称: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
分子名称: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
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