6KJX
 
 | | Galectin-13 variant C138S | | 分子名称: | Galactoside-binding soluble lectin 13 | | 著者 | Su, J. | | 登録日 | 2019-07-23 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
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6ITJ
 | | Crystal structure of FGFR1 kinase domain in complex with compound 3 | | 分子名称: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-23 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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4Y52
 | | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | 分子名称: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | 著者 | Wang, L, Chong, J, Wang, D. | | 登録日 | 2015-02-11 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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7WM0
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5Y93
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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6BE0
 | | AvrA delL154 with IP6, CoA | | 分子名称: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | | 著者 | Labriola, J.M, Nagar, B. | | 登録日 | 2017-10-24 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.438 Å) | | 主引用文献 | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition.
Biochemistry, 57, 2018
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5Y8W
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y94
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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8J40
 | | Crystal Structure of CATB8 in complex with chloramphenicol | | 分子名称: | CHLORAMPHENICOL, CatB8, GLYCEROL, ... | | 著者 | Liao, J, Kuang, L, Jiang, Y. | | 登録日 | 2023-04-18 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8.
Acs Infect Dis., 10, 2024
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8GVJ
 | | Crystal structure of cMET kinase domain bound by D6808 | | 分子名称: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | | 著者 | Chen, Y.H, Qu, L.Z. | | 登録日 | 2022-09-15 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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5Y8C
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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6BVY
 | | SFTI-HFRW-4 | | 分子名称: | Trypsin inhibitor 1 HFRW-4 | | 著者 | Schroeder, C.I, White, A. | | 登録日 | 2017-12-14 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J. Med. Chem., 61, 2018
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2Y2Y
 | | Oxidised form of E. coli CsgC | | 分子名称: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | | 著者 | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | | 登録日 | 2010-12-16 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Atomic Resolution Insights Into Curli Fiber Biogenesis.
Structure, 19, 2011
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8GZF
 | | Crystal Structure of METTL9-SAH | | 分子名称: | Protein-L-histidine N-pros-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Zhao, W.T, Li, H.T. | | 登録日 | 2022-09-26 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular basis for protein histidine N1-specific methylation of the "His-x-His" motifs by METTL9.
Cell Insight, 2, 2023
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8GTV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07 | | 分子名称: | 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | | 著者 | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
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8GTW
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26 | | 分子名称: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase | | 著者 | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
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8GXO
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8GXN
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6BVX
 | | SFTI-HFRW-2 | | 分子名称: | Trypsin inhibitor 1 HFRW-2 | | 著者 | Schroeder, C.I. | | 登録日 | 2017-12-14 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J.Med.Chem., 61, 2018
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7WLY
 | | Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs) | | 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 35B5 Fab, ... | | 著者 | Wang, X, Zhu, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | 35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
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5Z1S
 | | Crystal Structure Analysis of the BRD4(1) | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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7WLZ
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2Y2T
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5Z1R
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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