8XI9
 
 | | Crystal structure of FRB-FKBP fusion protein in complex with rapamycin | | 分子名称: | FRB-FKBP fusion protein, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | 著者 | Inobe, T, Sakaguchi, R, Obita, T, Mukaiyama, A, Yokoyama, T, Mizuguchi, M, Akiyama, S. | | 登録日 | 2023-12-19 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural insights into rapamycin-induced oligomerization of a FRB-FKBP fusion protein.
Febs Lett., 2024
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8Z38
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8Z28
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8POD
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 | | 分子名称: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ... | | 著者 | Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N. | | 登録日 | 2023-07-04 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
To Be Published
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9EU6
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23j | | 分子名称: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EUE
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | | 分子名称: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EU7
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15b | | 分子名称: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EUA
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23d | | 分子名称: | (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EUC
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23b | | 分子名称: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EU9
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15i | | 分子名称: | (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EY4
 | | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Krajczy, P, Hausch, F. | | 登録日 | 2024-04-09 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins.
Chemistry, 30, 2024
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9EUD
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23c | | 分子名称: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.022 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EU8
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15h | | 分子名称: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EUB
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 24e | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EY3
 | | The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Krajczy, P, Hausch, F. | | 登録日 | 2024-04-09 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins.
Chemistry, 30, 2024
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8P3C
 | | Full length structure of BpMIP with bound inhibitor NJS227. | | 分子名称: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2023-05-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
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8P3D
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8P42
 | | Full length structure of TcMIP with bound inhibitor NJS227. | | 分子名称: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2023-05-19 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
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8R5K
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8JGA
 | | Cryo-EM structure of Mi3 fused with FKBP | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1A,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase | | 著者 | Zhang, H.W, Kang, W, Xue, C. | | 登録日 | 2023-05-20 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
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8PJA
 | | FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1 | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Charalampidou, A, Hausch, F. | | 登録日 | 2023-06-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
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8PJ8
 | | FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1 | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Charalampidou, A, Hausch, F. | | 登録日 | 2023-06-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
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8VK4
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8GL6
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8GLJ
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