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4IKF
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BU of 4ikf by Molmil
PFV intasome with inhibitor MB-76
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
著者Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V.
登録日2012-12-26
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance.
Acs Chem.Biol., 8, 2013
6S69
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BU of 6s69 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-02
公開日2020-07-22
最終更新日2022-02-02
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S64
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BU of 6s64 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid, MYRISTIC ACID, PALMITIC ACID, ...
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-02
公開日2020-07-22
最終更新日2022-02-02
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S6J
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BU of 6s6j by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-03
公開日2020-07-22
最終更新日2022-02-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S60
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BU of 6s60 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S66
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BU of 6s66 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-02
公開日2020-07-22
最終更新日2022-02-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
7OYJ
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BU of 7oyj by Molmil
Crystal structure of hTEAD2 in complex with fragment at the interface 2
分子名称: 3-(1~{H}-pyrazol-5-yl)aniline, PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2021-06-24
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Toward the Design of Ligands Selective for the C-Terminal Domain of TEADs.
J.Med.Chem., 65, 2022
8P29
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BU of 8p29 by Molmil
TEAD2 in complex with an inhibitor
分子名称: 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ...
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-05-15
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8PON
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BU of 8pon by Molmil
TEAD2 in complex with an inhibitor
分子名称: 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8POM
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BU of 8pom by Molmil
TEAD2 in complex with an inhibitor
分子名称: 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8POJ
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BU of 8poj by Molmil
TEAD2 in complex with an inhibitor
分子名称: 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023

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件を2024-07-10に公開中

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