3BMP
 
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5DTR
 | | Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine] | | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine | | 著者 | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | 登録日 | 2015-09-18 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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5DTQ
 | | Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone] | | 分子名称: | (2,6-dichlorophenyl)(quinolin-6-yl)methanone, Histone-lysine N-methyltransferase, H3 lysine-79 specific | | 著者 | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | 登録日 | 2015-09-18 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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5DTM
 | | Crystal structure of Dot1L in complex with inhibitor CPD1 [4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide] | | 分子名称: | 4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific | | 著者 | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | 登録日 | 2015-09-18 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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1ELR
 | | Crystal structure of the TPR2A domain of HOP in complex with the HSP90 peptide MEEVD | | 分子名称: | HSP90-PEPTIDE MEEVD, NICKEL (II) ION, TPR2A-DOMAIN OF HOP | | 著者 | Scheufler, C, Brinker, A, Hartl, F.U, Moarefi, I. | | 登録日 | 2000-03-14 | | 公開日 | 2000-04-26 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of TPR domain-peptide complexes: critical elements in the assembly of the Hsp70-Hsp90 multichaperone machine.
Cell(Cambridge,Mass.), 101, 2000
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1ELW
 | | Crystal structure of the TPR1 domain of HOP in complex with a HSC70 peptide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HSC70-PEPTIDE, NICKEL (II) ION, ... | | 著者 | Scheufler, C, Brinker, A, Hartl, F.U, Moarefi, I. | | 登録日 | 2000-03-14 | | 公開日 | 2000-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of TPR domain-peptide complexes: critical elements in the assembly of the Hsp70-Hsp90 multichaperone machine
Cell(Cambridge,Mass.), 101, 2000
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8P0M
 | | Crystal structure of TEAD3 in complex with IAG933 | | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Scheufler, C, Villard, F, Chau, S. | | 登録日 | 2023-05-10 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | | 主引用文献 | Direct and selective pharmacological disruption of the YAP-TEAD interface by IAG933 inhibits Hippo-dependent and RAS-MAPK-altered cancers.
Nat Cancer, 2024
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6Y20
 | | Crystal structure of Protein Scalloped (222-440) bound to Protein Vestigial (298-337) | | 分子名称: | AMINO GROUP, MYRISTIC ACID, Protein scalloped, ... | | 著者 | Scheufler, C, Villard, F, Bokhovchuk, F. | | 登録日 | 2020-02-14 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | A new perspective on the interaction between the Vg/VGLL1-3 proteins and the TEAD transcription factors.
Sci Rep, 10, 2020
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8PFL
 | | Crystal structure of WRN helicase domain in complex with 3 | | 分子名称: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | 著者 | Scheufler, C, Meyer, M, Moebitz, H. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A WRN inhibitor shows anti-tumor efficacy in MSI-high tumor models
To Be Published, 2024
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8PFO
 | | Crystal structure of WRN helicase domain in complex with HRO761 | | 分子名称: | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | | 著者 | Scheufler, C, Meyer, M, Moebitz, H. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A WRN inhibitor shows anti-tumor efficacy in MSI-high tumor models
To Be Published, 2024
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8PFP
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8CAA
 | | Crystal structure of TEAD4 in complex with YTP-13 | | 分子名称: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid, 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide, PHOSPHATE ION, ... | | 著者 | Scheufler, C, Kallen, J. | | 登録日 | 2023-01-24 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors.
Chemmedchem, 18, 2023
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3UGC
 | | Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594 | | 分子名称: | 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2 | | 著者 | Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M. | | 登録日 | 2011-11-02 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Cancer Discov, 2, 2012
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8C17
 | | Crystal structure of TEAD4 in complex with peptide 1 | | 分子名称: | GLYCEROL, MYRISTIC ACID, Stapled peptide, ... | | 著者 | Scheufler, C, Kallen, J. | | 登録日 | 2022-12-20 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Biochemical and Structural Characterization of a Peptidic Inhibitor of the YAP:TEAD Interaction That Binds to the alpha-Helix Pocket on TEAD.
Acs Chem.Biol., 18, 2023
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4MTA
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3M42
 | | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor | | 分子名称: | 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | 著者 | Scheufler, C, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Kroemer, M. | | 登録日 | 2010-03-10 | | 公開日 | 2011-03-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity
To be Published
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8A0V
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8A0U
 | | Crystal structure of TEAD3 in complex with CPD4 | | 分子名称: | 2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide, MYRISTIC ACID, PHOSPHATE ION, ... | | 著者 | Scheufler, C, Kallen, J. | | 登録日 | 2022-05-30 | | 公開日 | 2022-08-17 | | 最終更新日 | 2022-10-19 | | 実験手法 | X-RAY DIFFRACTION (2.895 Å) | | 主引用文献 | The First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition.
Chemmedchem, 17, 2022
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5HHW
 | | Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine. | | 分子名称: | 1,2-ETHANEDIOL, 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine, Insulin receptor | | 著者 | Scheufler, C, Izaac, A, Stauffer, F. | | 登録日 | 2016-01-11 | | 公開日 | 2016-04-13 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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6TE6
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 3). | | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine | | 著者 | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | 登録日 | 2019-11-11 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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6TEL
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 10). | | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ... | | 著者 | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | 登録日 | 2019-11-12 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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5NH3
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6TEN
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 11). | | 分子名称: | 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | 著者 | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | 登録日 | 2019-11-12 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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6SEO
 | | TEAD4 bound to a FAM181B peptide | | 分子名称: | Protein FAM181B, Transcriptional enhancer factor TEF-3 | | 著者 | Scheufler, C, Villard, F. | | 登録日 | 2019-07-30 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Identification of FAM181A and FAM181B as new interactors with the TEAD transcription factors.
Protein Sci., 29, 2020
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6SEN
 | | TEAD4 bound to a FAM181A peptide | | 分子名称: | Protein FAM181A, SULFATE ION, Transcriptional enhancer factor TEF-3 | | 著者 | Scheufler, C, Villard, F. | | 登録日 | 2019-07-30 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification of FAM181A and FAM181B as new interactors with the TEAD transcription factors.
Protein Sci., 29, 2020
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