8BT5
 
 | | Notum Inhibitor ARUK3004877 | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-27 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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6YSK
 | | 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | | Descriptor: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-04-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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6ZVL
 | | ARUK3000263 complex with Notum | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ... | | Authors: | Zhao, Y, Ruza, R. | | Deposit date: | 2020-07-24 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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
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6ZUV
 | | Notum fragment 286 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-07-23 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 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
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7B3G
 | | Notum complex with ARUK3003902 | | Descriptor: | 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, ... | | Authors: | Zhao, Y, Jone, E.Y. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-12-01 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-12-01 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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8SLM
 | | Crystal structure of Deinococcus geothermalis PprI | | Descriptor: | MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ... | | Authors: | Zhao, Y, Lu, H. | | Deposit date: | 2023-04-23 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
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8SLN
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4XWT
 | | Crystal structure of RNase J complexed with UMP | | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | | Deposit date: | 2015-01-29 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
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1PTY
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES | | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B | | Authors: | Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | | Deposit date: | 1997-01-16 | | Release date: | 1998-01-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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
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7MPJ
 | | Stm1 bound vacant 80S structure isolated from wild-type | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | | Authors: | Rai, J, Zhao, Y, Li, H. | | Deposit date: | 2021-05-04 | | Release date: | 2022-05-11 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
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7MPI
 | | Stm1 bound vacant 80S structure isolated from cbf5-D95A | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | | Authors: | Rai, J, Zhao, Y, Li, H. | | Deposit date: | 2021-05-04 | | Release date: | 2022-05-11 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
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5B6G
 | | Protein-protein interaction | | Descriptor: | Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ... | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-05-27 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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5F56
 | | Structure of RecJ complexed with DNA and SSB-ct | | Descriptor: | ALA-ASP-LEU-PRO-PHE, DNA (5'-D(*CP*TP*GP*AP*TP*GP*GP*CP*A)-3'), MANGANESE (II) ION, ... | | Authors: | Zhao, Y, Hua, Y, Cheng, K. | | Deposit date: | 2015-12-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
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8S7C
 | | Ternary Complex of Cachd1, FZD5 and LRP6 | | Descriptor: | 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, ... | | Authors: | Zhao, Y, Ren, J, Jones, E.Y. | | Deposit date: | 2024-02-29 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (4.7 Å) | | Cite: | Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Science, 384, 2024
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6M03
 | | The crystal structure of COVID-19 main protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5YJ3
 | | Crystal structure of TZAP and telomeric DNA complex | | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), Telomere zinc finger-associated protein, ... | | Authors: | Li, F, Zhao, Y. | | Deposit date: | 2017-10-07 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | The 11th C2H2 zinc finger and an adjacent C-terminal arm are responsible for TZAP recognition of telomeric DNA.
Cell Res., 28, 2018
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5VOV
 | | Structure of AMPA receptor-TARP complex | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-12 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
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6LPM
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4Q65
 | | Structure of the E. coli Peptide Transporter YbgH | | Descriptor: | Dipeptide permease D | | Authors: | Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X. | | Deposit date: | 2014-04-21 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
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7DVW
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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