7BNF
| Notum Cotinine | Descriptor: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2021-01-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Notum Inhibitor To Be Published
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7BNL
| Notum ARUK3003710 | Descriptor: | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P.V, Svensson, F, Steadman, D. | Deposit date: | 2021-01-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Notum Inhibitor ARUK3003710 To Be Published
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7BN8
| Notum fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2021-01-21 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Notum Inhibitor To Be Published
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7BLU
| Notum_Maybridge_56 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Notum Inhibitor To Be Published
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7BLW
| Notum_Piperine complex | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Notum Inhibitor To Be Published
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7BMB
| Notum PPOH complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-prop-2-ynoxyphenyl)hexanoic acid, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Notum Inhibitor PPOH To Be Published
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7BND
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7BNB
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7BNC
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7BO5
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7E6K
| Viral protease | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-phenoxyethyl)methanethioamide, ... | Authors: | Zhao, Y, Zhang, Q, Yang, H.T, Rao, Z.H. | Deposit date: | 2021-02-22 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Viral protease To be published
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4USG
| Crystal structure of PC4 W89Y mutant complex with DNA | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15 | Authors: | Zhao, Y, Liu, J. | Deposit date: | 2014-07-08 | Release date: | 2015-03-18 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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6R8P
| Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6T2H
| Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6T2K
| Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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8SLN
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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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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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4XWW
| Crystal structure of RNase J complexed with RNA | 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 (1.7 Å) | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J Nucleic Acids Res., 43, 2015
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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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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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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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7N8B
| Cycloheximide bound vacant 80S structure isolated from cbf5-D95A | Descriptor: | 18S RIBOSOMAL RNA, 25S, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Rai, J, Zhao, Y, Li, H. | Deposit date: | 2021-06-14 | 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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