1W5W
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
4A06
| Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | 分子名称: | (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | 登録日 | 2011-09-08 | 公開日 | 2011-12-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
|
|
4A07
| Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | 分子名称: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | 登録日 | 2011-09-08 | 公開日 | 2011-12-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
|
|
1W5Y
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-10-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
1W5X
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
4KYK
| Crystal structure of mouse glyoxalase I complexed with indomethacin | 分子名称: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | 著者 | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | 登録日 | 2013-05-29 | 公開日 | 2013-08-07 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
|
|
1W5V
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
4BTP
| Structure of the capsid protein P1 of the bacteriophage phi8 | 分子名称: | p1 | 著者 | El Omari, K, Sutton, G, Ravantti, J.J, Zhang, H, Walter, T.S, Grimes, J.M, Bamford, D.H, Stuart, D.I, Mancini, E.J. | 登録日 | 2013-06-18 | 公開日 | 2013-08-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Plate Tectonics of Virus Shell Assembly and Reorganization in Phage Phi8, a Distant Relative of Mammalian Reoviruses Structure, 21, 2013
|
|
4BX4
| Fitting of the bacteriophage Phi8 P1 capsid protein into cryo-EM density | 分子名称: | P1 | 著者 | El Omari, K, Sutton, G, Ravantti, J.J, Zhang, H, Walter, T.S, Grimes, J.M, Bamford, D.H, Stuart, D.I, Mancini, E.J. | 登録日 | 2013-07-08 | 公開日 | 2013-08-07 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (8.7 Å) | 主引用文献 | Plate Tectonics of Virus Shell Assembly and Reorganization in Phage Phi8, a Distant Relative of Mammalian Reoviruses Structure, 21, 2013
|
|
5I8J
| |
5JPU
| Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol | 分子名称: | (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase | 著者 | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | 登録日 | 2016-05-04 | 公開日 | 2016-06-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase To be published
|
|
6NYG
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6NYF
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 1 (OA-1) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
5JPP
| Structure of limonene epoxide hydrolase mutant - H-2-H5 | 分子名称: | limonene epoxide hydrolase | 著者 | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | 登録日 | 2016-05-04 | 公開日 | 2016-06-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase To be published
|
|
6NYM
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2d (OA-2d) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6NYJ
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2b (OA-2b) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6NYL
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2c (OA-2c) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6NYN
| Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2e (OA-2e) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
3PYY
| Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | 分子名称: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | 著者 | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | 登録日 | 2010-12-13 | 公開日 | 2011-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
|
|
5H19
| EED in complex with PRC2 allosteric inhibitor EED162 | 分子名称: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-08 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
|
|
7QJU
| EED in complex with PRC2 allosteric inhibitor compound 7 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QJG
| EED in complex with PRC2 allosteric inhibitor compound 6 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-16 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QK4
| EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
1KQN
| Crystal structure of NMN/NaMN adenylyltransferase complexed with NAD | 分子名称: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XENON | 著者 | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | 登録日 | 2002-01-07 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Human Nicotinamide/Nicotonic Acid Mononucleotide Adenylyltransferase. Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin. J.Biol.Chem., 277, 2003
|
|
4H0W
| Bismuth bound human serum transferrin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bismuth(III) ION, CARBONATE ION, ... | 著者 | Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H. | 登録日 | 2012-09-10 | 公開日 | 2012-12-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe. Sci Rep, 2, 2012
|
|