7XCZ
 
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7XDK
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | | 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, BA7054 fab, ... | | 著者 | Liu, Z, Lui, S, Gao, Y. | | 登録日 | 2022-03-27 | | 公開日 | 2023-03-01 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDB
 | | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | | 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, BA7208 fab, ... | | 著者 | Liu, Z, Liu, S, Gao, Y.Z. | | 登録日 | 2022-03-26 | | 公開日 | 2023-03-01 | | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDL
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | | 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, BA7125 fab, ... | | 著者 | Liu, Z, Liu, S, Yuanzhu, G. | | 登録日 | 2022-03-27 | | 公開日 | 2023-03-15 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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6VHG
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | 分子名称: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | | 著者 | Lee, C.C, Spraggon, G. | | 登録日 | 2020-01-09 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
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7X5V
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8J8P
 | | Structure of the four-component Paf1 complex from Saccharomyces eubayanus | | 分子名称: | CDC73-like protein, CTR9-like protein, PAF1-like protein, ... | | 著者 | Wang, Z, Qin, Y, Zhou, Y, Cao, Y. | | 登録日 | 2023-05-02 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
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8J1Z
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7RUN
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor. | | 分子名称: | 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret | | 著者 | Lee, C.C, Spraggon, G. | | 登録日 | 2021-08-17 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | | 主引用文献 | Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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3JAZ
 | | Atomic model of cytoplasmic polyhedrosis virus with ATP | | 分子名称: | Capsid protein VP1, Structural protein VP3, Viral structural protein 5 | | 著者 | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | 登録日 | 2015-07-06 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB0
 | | Atomic model of cytoplasmic polyhedrosis virus with GTP | | 分子名称: | Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, Structural protein VP3, ... | | 著者 | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | 登録日 | 2015-07-06 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB2
 | | Atomic model of cytoplasmic polyhedrosis virus with SAM and GTP | | 分子名称: | Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | 登録日 | 2015-07-06 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | 分子名称: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2022-09-27 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality
Acs Cent.Sci., 2024
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8F9A
 | | Compound 11 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F97
 | | Compound 5 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F99
 | | Compound 10 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9B
 | | Compound 19 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9C
 | | Compound 20 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9D
 | | Compound 21 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F98
 | | Compound 8 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F96
 | | Compound 3 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F78
 | | Compound 1 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-18 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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7L4C
 | | Crystal structure of the DRM2-CTT DNA complex | | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | 著者 | Fang, J, Song, J. | | 登録日 | 2020-12-18 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
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