5HE4
| BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | 分子名称: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P. | 登録日 | 2016-01-05 | 公開日 | 2016-03-16 | 最終更新日 | 2016-04-27 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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5H4B
| Crystal structure of Cbln4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4 | 著者 | Zhong, C, Shen, J, Zhang, H, Ding, J. | 登録日 | 2016-10-31 | 公開日 | 2017-09-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions. Cell Rep, 20, 2017
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7UYD
| Inhibitor bound VIM1 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYC
| Inhibitor bound VIM1 | 分子名称: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYA
| Inhibitor bound VIM1 | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYB
| Inhibitor bound VIM1 | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7YP0
| Crystal structure of CtGST | 分子名称: | Glutathione S-transferase | 著者 | Yang, J, Fan, J.P, Lei, X.G. | 登録日 | 2022-08-02 | 公開日 | 2024-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7. Jacs Au, 4, 2024
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7YOC
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4JEK
| Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | 分子名称: | Dibenzothiophene desulfurization enzyme C | 著者 | Zhang, L, Duan, X.L, Zhou, D.M, Li, X. | 登録日 | 2013-02-27 | 公開日 | 2013-09-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis Acta Crystallogr.,Sect.F, 69, 2013
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2K86
| Solution Structure of FOXO3a Forkhead domain | 分子名称: | Forkhead box protein O3 | 著者 | Wang, F, Marshall, C.B, Li, G, Plevin, M.J, Ikura, M. | 登録日 | 2008-09-02 | 公開日 | 2008-10-14 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Biochemical and structural characterization of an intramolecular interaction in FOXO3a and its binding with p53. J.Mol.Biol., 384, 2008
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7XV6
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7XVA
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7XV9
| Crystal structure of the Human TR4 DNA-Binding Domain | 分子名称: | Nuclear receptor subfamily 2 group C member 2, ZINC ION | 著者 | Liu, Y, Chen, Z. | 登録日 | 2022-05-21 | 公開日 | 2022-12-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation. Nucleic Acids Res., 51, 2023
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7XV8
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8J2F
| Human neutral shpingomyelinase | 分子名称: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | 著者 | Zhang, S.S. | 登録日 | 2023-04-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2). Nat Commun, 14, 2023
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5F5M
| Crystal structure of Marburg virus nucleoprotein core domain | 分子名称: | Nucleoprotein | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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5F5O
| Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | 分子名称: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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5KVT
| THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | 分子名称: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | 著者 | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | 登録日 | 2016-07-15 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials To Be Published
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7F3B
| cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | 登録日 | 2021-06-16 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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7W2I
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6KE4
| ABloop reengineered Ferritin Nanocage | 分子名称: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | 著者 | Wang, W.M, Wang, H.F. | 登録日 | 2019-07-03 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
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6KE2
| ABloop reengineered Ferritin Nanocage | 分子名称: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | 著者 | Wang, W.M, Wang, H.F. | 登録日 | 2019-07-03 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
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7E0P
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | 分子名称: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.635 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0O
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1) | 分子名称: | 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.337 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0T
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36) | 分子名称: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.137 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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