1RMH
| RECOMBINANT CYCLOPHILIN A FROM HUMAN T CELL | 分子名称: | AAPF PEPTIDE SUBSTRATE, CYCLOPHILIN A | 著者 | Zhao, Y, Ke, H. | 登録日 | 1995-07-31 | 公開日 | 1996-10-14 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure implies that cyclophilin predominantly catalyzes the trans to cis isomerization. Biochemistry, 35, 1996
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4YVP
| Crystal Structure of AKR1C1 complexed with glibenclamide | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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4YVX
| Crystal structure of AKR1C3 complexed with glimepiride | 分子名称: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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4YVV
| Crystal structure of AKR1C3 complexed with glibenclamide | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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4ZFC
| Crystal structure of AKR1C3 complexed with glicazide | 分子名称: | Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zhrng, X, Hu, X. | 登録日 | 2015-04-21 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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8S7C
| Ternary Complex of Cachd1, FZD5 and LRP6 | 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, Frizzled-5, ... | 著者 | Zhao, Y, Ren, J, Jones, E.Y. | 登録日 | 2024-02-29 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (4.7 Å) | 主引用文献 | Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain. Science, 384, 2024
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6ZYF
| Notum_Ghrelin complex | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-07-31 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Notum deacylates octanoylated ghrelin. Mol Metab, 49, 2021
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7B7Y
| Notum-Fragment064 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-11 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Notum Fragment Screen To Be Published
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7B7X
| Notum-Fragment063 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(2,1,3-benzoxadiazol-4-yl)acetamide, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-11 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Notum Fragment Screen To Be Published
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7B7W
| Notum-Fragment049 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-11 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Notum Fragment Screen To Be Published
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7B2Z
| Notum complex with ARUK3003907 | 分子名称: | DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-28 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7ARG
| Notum in complex with ARUK3002704 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-10-24 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B37
| Notum complex with ARUK3003718 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-28 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B2Y
| Notum complex with ARUK3003910 | 分子名称: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-28 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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5VOV
| Structure of AMPA receptor-TARP complex | 分子名称: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | 著者 | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | 登録日 | 2017-05-03 | 公開日 | 2017-07-12 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (7.7 Å) | 主引用文献 | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM. Cell, 170, 2017
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7B3F
| Notum S232A in complex with ARUK3003718 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-30 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B2V
| Notum complex with ARUK3003906 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-28 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B3G
| Notum complex with ARUK3003902 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, ... | 著者 | Zhao, Y, Jone, E.Y. | 登録日 | 2020-11-30 | 公開日 | 2021-12-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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7B3H
| Notum complex with ARUK3003909 | 分子名称: | 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2020-11-30 | 公開日 | 2021-12-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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7B3I
| Notum complex with ARUK3003776 | 分子名称: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2020-12-01 | 公開日 | 2021-12-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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7B3P
| Notum complex with ARUK3003775 | 分子名称: | 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2020-12-01 | 公開日 | 2021-12-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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7B86
| Notum-Fragment067 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8A
| Notum-Fragment 110 | 分子名称: | 1,2-ETHANEDIOL, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Notum Fragment Screen To Be Published
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7B87
| Notum-Fragment074 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B89
| Notum-Fragment077 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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