7S5B
 
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8FE8
 | | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | | 著者 | Rumrill, S, Ruiz, F.X, Arnold, E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
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2Q12
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2Q13
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8GTP
 | | cryo-EM structure of Omicron BA.5 S protein in complex with XGv289 | | 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, Spike glycoprotein, ... | | 著者 | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
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8GTO
 | | cryo-EM structure of Omicron BA.5 S protein in complex with XGv282 | | 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, Spike glycoprotein, ... | | 著者 | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
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8GTQ
 | | cryo-EM structure of Omicron BA.5 S protein in complex with S2L20 | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
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8GWO
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWG
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWI
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWN
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527 | | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWF
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWK
 | | SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP | | 分子名称: | Helicase, MAGNESIUM ION, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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3R4N
 | | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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3R4O
 | | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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3R4P
 | | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Gajiwala, K.S. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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3R4M
 | | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | | 著者 | Almassy, R.J. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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6XD9
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | | 分子名称: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions.
Sci Rep, 10, 2020
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8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | 分子名称: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | 分子名称: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWM
 | | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | | 分子名称: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8HKQ
 | | ion channel | | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | 著者 | Jiang, D.H, Zhang, J.T. | | 登録日 | 2022-11-27 | | 公開日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HKK
 | | ion channel | | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | 著者 | Jiang, D.H, Zhang, J.T. | | 登録日 | 2022-11-27 | | 公開日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HIR
 | | potassium channels | | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | 著者 | Jiang, D.H, Zhang, J.T. | | 登録日 | 2022-11-21 | | 公開日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HKM
 | | ion channel | | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ... | | 著者 | Jiang, D.H, Zhang, J.T. | | 登録日 | 2022-11-27 | | 公開日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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