7MSB
 
 | | Structure of EED bound to EEDi-4259 | | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | | 著者 | Petrunak, E, Stuckey, J. | | 登録日 | 2021-05-11 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
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5T2P
 | | Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | | 分子名称: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | | 著者 | Zhou, Z, Xu, Z.H. | | 登録日 | 2016-08-24 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | | 主引用文献 | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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6W7F
 | | Structure of EED bound to inhibitor 5285 | | 分子名称: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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6W7G
 | | Structure of EED bound to inhibitor 1056 | | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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8HC5
 | | SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC8
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC7
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region of YB9-258, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.54 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HCB
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (2 RBD up) | | 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, Heavy chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC3
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 2 YB9-258 Fabs (2 RBD up) | | 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, Heavy chain of YB9-258, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC4
 | | SARS-CoV-2 wildtype spike trimer (6P) in complex with 3 YB9-258 Fabs and 3 R1-32 Fabs (3 RBD up) | | 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, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HCA
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up) | | 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, Heavy chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC6
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light chain of YB9-258, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.69 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC9
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | | 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, Heavy chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (6.03 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC2
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | | 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, Heavy chain of YB9-258 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (6.21 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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5V5F
 | | Crystal structure of RICE1 (PNT2) | | 分子名称: | At3g11770 | | 著者 | Li, P. | | 登録日 | 2017-03-14 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.945 Å) | | 主引用文献 | RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.
Elife, 6, 2017
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5WTW
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | 分子名称: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | 著者 | Zhou, Z, Xu, Z.H. | | 登録日 | 2016-12-01 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.946 Å) | | 主引用文献 | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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7XH2
 | | Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein sfcH | | 著者 | Ma, X, Shao, N, Ma, M, Tang, G. | | 登録日 | 2022-04-07 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
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7XH4
 | | Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis complex with safracin A | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Safracin A, Uncharacterized protein sfcH | | 著者 | Ma, X, Shao, N, Zhang, Y, Yang, D, Ma, M, Tang, G. | | 登録日 | 2022-04-07 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
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5WQA
 | | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | | 分子名称: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | | 著者 | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | | 登録日 | 2016-11-24 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata
Biochem. Pharmacol., 130, 2017
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8H7B
 | | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | | 分子名称: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhu, C.J, Zhang, Z.M. | | 登録日 | 2022-10-19 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.46408451 Å) | | 主引用文献 | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
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8H7F
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8H7H
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8JMX
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7W7Y
 | | The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | | 分子名称: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | | 著者 | Zhu, C, Zhang, Z.M. | | 登録日 | 2021-12-06 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.20003033 Å) | | 主引用文献 | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
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