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7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
著者Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-04-08
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-08-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
4XWW
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BU of 4xww by Molmil
Crystal structure of RNase J complexed with RNA
分子名称: DR2417, GLYCEROL, MANGANESE (II) ION, ...
著者Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y.
登録日2015-01-29
公開日2015-12-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
4XWT
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BU of 4xwt by Molmil
Crystal structure of RNase J complexed with UMP
分子名称: DR2417, GLYCEROL, MANGANESE (II) ION, ...
著者Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y.
登録日2015-01-29
公開日2015-12-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
8WTW
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BU of 8wtw by Molmil
Cryo-EM structure of noradrenaline transporter in complex with a x-MrlA analogue
分子名称: CHLORIDE ION, MrlA, O-methyl-L-tyrosine, ...
著者Zhao, Y, Hu, T, Yu, Z.
登録日2023-10-19
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
8WTU
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BU of 8wtu by Molmil
Cryo-EM structure of noradrenaline transporter in apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent noradrenaline transporter
著者Zhao, Y, Hu, T, Yu, Z.
登録日2023-10-19
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
8WTV
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BU of 8wtv by Molmil
Cryo-EM structure of noradrenaline transporter in complex with noradrenaline
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Noradrenaline, ...
著者Zhao, Y, Hu, T, Yu, Z.
登録日2023-10-19
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
8WTY
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BU of 8wty by Molmil
Cryo-EM structure of noradrenaline transporter in complex with ziprasidone
分子名称: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one, Sodium-dependent noradrenaline transporter
著者Zhao, Y, Hu, T, Yu, Z.
登録日2023-10-19
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
8WTX
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BU of 8wtx by Molmil
Cryo-EM structure of noradrenaline transporter in complex with bupropion
分子名称: (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one, Sodium-dependent noradrenaline transporter
著者Zhao, Y, Hu, T, Yu, Z.
登録日2023-10-19
公開日2024-08-07
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
5VOV
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BU of 5vov by Molmil
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
5IZ8
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BU of 5iz8 by Molmil
Protein-protein interaction
分子名称: ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZA
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BU of 5iza by Molmil
Protein-protein interaction
分子名称: ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
7SUK
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BU of 7suk by Molmil
Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells
分子名称: 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ...
著者Rai, J, Zhao, Y, Li, H.
登録日2021-11-17
公開日2022-07-06
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome.
Commun Biol, 5, 2022
5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
分子名称: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
分子名称: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5B6G
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BU of 5b6g by Molmil
Protein-protein interaction
分子名称: Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ...
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-05-27
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5F56
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BU of 5f56 by Molmil
Structure of RecJ complexed with DNA and SSB-ct
分子名称: ALA-ASP-LEU-PRO-PHE, DNA (5'-D(*CP*TP*GP*AP*TP*GP*GP*CP*A)-3'), MANGANESE (II) ION, ...
著者Zhao, Y, Hua, Y, Cheng, K.
登録日2015-12-04
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
1PTY
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BU of 1pty by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES
分子名称: MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B
著者Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y.
登録日1997-01-16
公開日1998-01-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design.
Proc.Natl.Acad.Sci.USA, 94, 1997
7B3I
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BU of 7b3i by Molmil
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
7B3H
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BU of 7b3h by Molmil
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
7B3P
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BU of 7b3p by Molmil
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
7B3G
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BU of 7b3g by Molmil
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
6ZVL
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BU of 6zvl by Molmil
ARUK3000263 complex with Notum
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ...
著者Zhao, Y, Ruza, R.
登録日2020-07-24
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
6ZUV
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BU of 6zuv by Molmil
Notum fragment 286
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2020-07-23
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
7TUB
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BU of 7tub by Molmil
The beta-tubulin folding intermediate IV
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Zhao, Y, Frydman, J, Chiu, W.
登録日2022-02-02
公開日2022-12-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural visualization of the tubulin folding pathway directed by human chaperonin TRiC/CCT.
Cell, 185, 2022

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件を2024-08-14に公開中

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