5I9G
| Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2 | 分子名称: | RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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5I9F
| Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10 | 分子名称: | RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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4QEI
| Two distinct conformational states of GlyRS captured in crystal lattice | 分子名称: | ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2 | 著者 | Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q. | 登録日 | 2014-05-16 | 公開日 | 2015-05-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.875 Å) | 主引用文献 | Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis J.Biol.Chem., 291, 2016
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7N8C
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | 分子名称: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-06-14 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7N89
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4JDA
| Complex structure of abscisic acid receptor PYL3 with (-)-ABA | 分子名称: | (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3 | 著者 | Zhang, X, Wang, G, Chen, Z. | 登録日 | 2013-02-24 | 公開日 | 2013-07-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR Plos One, 8, 2013
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5H25
| EED in complex with PRC2 allosteric inhibitor compound 11 | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | 分子名称: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5DDU
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ... | 著者 | Xu, J, Feng, Z, Liu, J. | 登録日 | 2015-08-25 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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5DDS
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP | 分子名称: | ACETIC ACID, CrmG, GLYCEROL, ... | 著者 | Xu, J, Feng, Z, Liu, J. | 登録日 | 2015-08-25 | 公開日 | 2016-08-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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5DDW
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with the PMP external aldimine adduct with Caerulomycin M | 分子名称: | CrmG, GLYCEROL, [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | 著者 | Xu, J, Feng, Z, Liu, J. | 登録日 | 2015-08-25 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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4XQ4
| X-ray structure analysis of xylanase - N44D | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | 登録日 | 2015-01-19 | 公開日 | 2015-09-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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8TTY
| Crystal structure of monkey TLR7 ectodomain with compound 5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ... | 著者 | Critton, D.A. | 登録日 | 2023-08-15 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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8TTZ
| Crystal structure of monkey TLR7 ectodomain with compound 20 | 分子名称: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Critton, D.A. | 登録日 | 2023-08-15 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-10-12 | 公開日 | 2021-10-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-05 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | 分子名称: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-07 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-03 | 公開日 | 2022-03-02 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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4RNN
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4RNM
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4RQL
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4RRT
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4RNO
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4RUI
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6PBC
| Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma,1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, SODIUM ION | 著者 | Hajicek, N, Sondek, J. | 登録日 | 2019-06-13 | 公開日 | 2020-01-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations. Elife, 8, 2019
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