8I3S
 
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | | 著者 | Li, Z, Yu, F, Cao, S, ZHao, H. | | 登録日 | 2023-01-17 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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8HXB
 | | Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2 | | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | | 登録日 | 2023-01-04 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
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8HXC
 | | Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2 | | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | | 登録日 | 2023-01-04 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
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8HXA
 | | Cryo-EM structure of MPXV M2 in complex with human B7.1 | | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD80 | | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | | 登録日 | 2023-01-04 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
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7VE7
 | | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | | 分子名称: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | 登録日 | 2021-09-08 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.720007 Å) | | 主引用文献 | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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7VDO
 | | Crystal structure of KRED F147L/L153Q/Y190P variant | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ... | | 著者 | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | 登録日 | 2021-09-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85571563 Å) | | 主引用文献 | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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8HDL
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5IP0
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6M56
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4GAH
 | | Human acyl-CoA thioesterases 4 in complex with undecan-2-one-CoA inhibitor | | 分子名称: | Thioesterase superfamily member 4, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate | | 著者 | Lim, K, Pathak, M.C, Herzberg, O. | | 登録日 | 2012-07-25 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Correlation of structure and function in the human hotdog-fold enzyme hTHEM4.
Biochemistry, 51, 2012
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2H96
 | | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | | 分子名称: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | | 著者 | Abad-Zapatero, C. | | 登録日 | 2006-06-09 | | 公開日 | 2006-07-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
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4PCE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | | 著者 | Dong, J, Caflisch, A. | | 登録日 | 2014-04-15 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.293 Å) | | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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4PCI
 | | Crystal Structure of the first bromodomain of BRD4 in complex with B16 | | 分子名称: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Dong, J, Caflisch, A. | | 登録日 | 2014-04-15 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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4G2F
 | | Human EphA3 kinase domain in complex with compound 7 | | 分子名称: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | | 著者 | Dong, J, Caflisch, A. | | 登録日 | 2012-07-12 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
ACS MED.CHEM.LETT., 3, 2012
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4BCG
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2012-10-02 | | 公開日 | 2013-04-17 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.085 Å) | | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4BCP
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2012-10-02 | | 公開日 | 2013-04-17 | | 最終更新日 | 2013-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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8SLR
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5VYG
 | | Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide | | 分子名称: | CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Yu, H.J, Li, H.L. | | 登録日 | 2017-05-25 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
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4XZ7
 | | Crystal structure of a TGase | | 分子名称: | Putative uncharacterized protein | | 著者 | Yu, J, Ge, J, Yang, M. | | 登録日 | 2015-02-04 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015
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5BOA
 | | Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2 | | 分子名称: | Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | | 著者 | Zhang, C, Yu, Y, Yang, M, Jiang, Y. | | 登録日 | 2015-05-27 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.708 Å) | | 主引用文献 | Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
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6MDB
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5 | | 分子名称: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Fodor, M, Stams, T. | | 登録日 | 2018-09-04 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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6MD7
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7EJV
 | | The co-crystal structure of DYRK2 with YK-2-69 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | | 著者 | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | | 登録日 | 2021-04-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
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