4FL1
| Structural and Biophysical Characterization of the Syk Activation Switch | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | 登録日 | 2012-06-14 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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4FL3
| Structural and Biophysical Characterization of the Syk Activation Switch | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | 登録日 | 2012-06-14 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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4FL2
| Structural and Biophysical Characterization of the Syk Activation Switch | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | 登録日 | 2012-06-14 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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7OCV
| Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one | 分子名称: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ACETATE ION, Poly [ADP-ribose] polymerase, ... | 著者 | Musil, D, Lehmann, M, Buchstaller, H.-P. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models. J.Med.Chem., 64, 2021
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4IO8
| Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)-6-Amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile | 分子名称: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Heat shock 70kDa protein 1A variant | 著者 | Musil, D, Scholz, S. | 登録日 | 2013-01-07 | 公開日 | 2013-12-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Functional analysis of hsp70 inhibitors. Plos One, 8, 2013
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4EEH
| Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-(4-Hydroxy-phenyl)-1H-indazol-6-ol | 分子名称: | 3-(4-hydroxyphenyl)-1H-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION | 著者 | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | 登録日 | 2012-03-28 | 公開日 | 2012-06-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90 Bioorg.Med.Chem.Lett., 22, 2012
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4EFT
| Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile | 分子名称: | (2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile, Heat shock protein HSP 90-alpha | 著者 | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | 登録日 | 2012-03-30 | 公開日 | 2012-06-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90 Bioorg.Med.Chem.Lett., 22, 2012
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4EFU
| Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide | 分子名称: | Heat shock protein HSP 90-alpha, N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide, SULFATE ION | 著者 | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | 登録日 | 2012-03-30 | 公開日 | 2012-06-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90 Bioorg.Med.Chem.Lett., 22, 2012
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8BDO
| VCB in complex with compound 21 | 分子名称: | (2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDS
| Ternary complex between VCB, BRD4-BD1 and PROTAC 48 | 分子名称: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-20 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BEB
| Ternary complex between VCB, BRD4-BD1 and PROTAC 49 | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-21 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDX
| Ternary complex between VCB, BRD4-BD2 and PROTAC 48 | 分子名称: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-20 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDL
| VCB in complex with compound 27 | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDM
| VCB in complex with compound 26 | 分子名称: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.021 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDJ
| VCB in complex with compound 30 | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDN
| VCB in complex with compound 23 | 分子名称: | (2~{R})-3-methyl-1-[(2~{S},4~{R})-2-[(5~{R})-5-methyl-5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-4~{H}-1,2,4-oxadiazol-3-yl]-4-oxidanyl-pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDI
| VCB in complex with compound 32 | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8CK3
| STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | 著者 | Musil, D, Lehmannn, M, Diehl, L. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
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8CK8
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8CK4
| STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | 著者 | Musil, D. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
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5KUC
| Crystal structure of trypsin activated Cry6Aa | 分子名称: | Pesticidal crystal protein Cry6Aa | 著者 | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E. | 登録日 | 2016-07-13 | 公開日 | 2016-08-03 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins. Bmc Biol., 14, 2016
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5KUD
| Crystal structure of full length Cry6Aa | 分子名称: | Pesticidal crystal protein Cry6Aa | 著者 | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K. | 登録日 | 2016-07-13 | 公開日 | 2016-08-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins. Bmc Biol., 14, 2016
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8AU5
| c-MET F1200I mutant in complex with Tepotinib | 分子名称: | 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ... | 著者 | Graedler, U, Lammens, A. | 登録日 | 2022-08-25 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
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8AU3
| c-MET Y1234E,Y1235E mutant in complex with Tepotinib | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | 著者 | Graedler, U, Lammens, A. | 登録日 | 2022-08-25 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
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8AW1
| c-MET Y1235D mutant in complex with Tepotinib | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | 著者 | Graedler, U, Lammens, A. | 登録日 | 2022-08-29 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
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