7NA1
 
 | | HDM2 in complex with compound 2 | | 分子名称: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ... | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6OCU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | 分子名称: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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8SBD
 | | Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments | | 分子名称: | Insulin A chain, Insulin B chain | | 著者 | Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C. | | 登録日 | 2023-04-03 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of insulin fibrillation.
Sci Adv, 9, 2023
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8T5G
 | | SOS2 co-crystal structure with fragment bound (compound 12) | | 分子名称: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8T5M
 | | SOS2 crystal structure with fragment bound (compound 14) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-14 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8T5R
 | | SOS2 crystal structure with fragment bound (compound 13) | | 分子名称: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-14 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8UC9
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8UH0
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8UF2
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6BRR
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2HY9
 | | Human telomere DNA quadruplex structure in K+ solution hybrid-1 form | | 分子名称: | DNA (26-MER) | | 著者 | Dai, J, Punchihewa, C, Jones, R.A, Hurley, L, Yang, D. | | 登録日 | 2006-08-04 | | 公開日 | 2007-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation.
Nucleic Acids Res., 35, 2007
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4L07
 | | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | | 分子名称: | GLYCEROL, Hydrolase, isochorismatase family, ... | | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | 登録日 | 2013-05-30 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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6U8X
 | | Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | | 分子名称: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Song, J. | | 登録日 | 2019-09-06 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.95063877 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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4L08
 | | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | | 分子名称: | Hydrolase, isochorismatase family, MALEIC ACID | | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | 登録日 | 2013-05-31 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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7CJF
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | 著者 | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | | 登録日 | 2020-07-10 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | | 主引用文献 | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
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7DEO
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | | 著者 | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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6OVB
 | | Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant | | 分子名称: | Active core crystal toxin protein 1D | | 著者 | Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C. | | 登録日 | 2019-05-07 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | | 主引用文献 | Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
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6OWK
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6U8P
 | | Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA | | 分子名称: | CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Song, J. | | 登録日 | 2019-09-05 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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6U8V
 | | Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA | | 分子名称: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Zhang, Z.M, Song, J. | | 登録日 | 2019-09-06 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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6U8W
 | | Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA | | 分子名称: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Zhang, Z.M, Song, J. | | 登録日 | 2019-09-06 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.94891548 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | 分子名称: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B. | | 登録日 | 2021-09-06 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85659146 Å) | | 主引用文献 | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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7DET
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7FAI
 | | CARM1 bound with compound 9 | | 分子名称: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | | 著者 | Cao, D.Y, Li, J, Xiong, B. | | 登録日 | 2021-07-06 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09749269 Å) | | 主引用文献 | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
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