4V0Q
 
 | Dengue Virus Full Length NS5 Complexed with SAH | Descriptor: | ACETATE ION, GLYCEROL, NS5 POLYMERASE, ... | Authors: | Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D. | Deposit date: | 2014-09-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication. Plos Pathog., 11, 2015
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6TFB
 
 | Carbamazepine binds Frizzled8 | Descriptor: | Frizzled-8, GLYCEROL, benzo[b][1]benzazepine-11-carboxamide | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-11-13 | Release date: | 2020-02-26 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8. J.Med.Chem., 63, 2020
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6TR5
 
 | Melatonin-Notum complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-15 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6TR7
 
 | N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-08 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6TR6
 
 | N-acetylserotonin-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-08 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6TUZ
 
 | Theophylline-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Caffeine inhibits Notum activity by binding at the catalytic pocket. Commun Biol, 3, 2020
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4V0R
 
 | DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH | Descriptor: | FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D. | Deposit date: | 2014-09-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication. Plos Pathog., 11, 2015
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5CYH
 
 | CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE GLY-PRO | Descriptor: | CYCLOPHILIN A, GLYCINE, PROLINE | Authors: | Zhao, Y, Ke, H. | Deposit date: | 1996-02-27 | Release date: | 1996-07-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes. Biochemistry, 35, 1996
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5JQ3
 
 | Crystal structure of Ebola glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | Deposit date: | 2016-05-04 | Release date: | 2016-06-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein. Nature, 535, 2016
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5JQB
 
 | Crystal structure of Ebola glycoprotein in complex with ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | Deposit date: | 2016-05-04 | Release date: | 2016-06-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein. Nature, 535, 2016
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6G9B
 
 | Crystal structure of Ebolavirus glycoprotein in complex with imipramine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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6G95
 
 | Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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6G9I
 
 | Crystal structure of Ebolavirus glycoprotein in complex with clomipramine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, Envelope glycoprotein,Envelope glycoprotein, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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6GBI
 
 | Wnt signalling | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2018-04-14 | Release date: | 2018-08-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6. FEBS Lett., 592, 2018
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7B8M
 
 | Notum-Fragment 193 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8N
 
 | Notum-Fragment 197 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8J
 
 | Notum-Fragment 163 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8O
 
 | Notum-Fragment 199 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8L
 
 | Notum-Fragment 174 | Descriptor: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8K
 
 | Notum-Fragment 173 | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-benzimidazol-2-ylcyanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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6SNW
 
 | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-27 | Release date: | 2020-01-15 | Last modified: | 2024-11-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6SMG
 
 | Structure of Coxsackievirus A10 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-21 | Release date: | 2020-01-15 | Last modified: | 2025-07-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6SNB
 
 | Structure of Coxsackievirus A10 A-particle | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-23 | Release date: | 2020-01-15 | Last modified: | 2025-07-02 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6TFM
 
 | Frizzled8 CRD | Descriptor: | Frizzled-8 | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8. J.Med.Chem., 63, 2020
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1FGL
 
 | Cyclophilin A complexed with a fragment of HIV-1 GAG protein | Descriptor: | CYCLOPHILIN A, HIV-1 GAG PROTEIN | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1996-11-18 | Release date: | 1997-04-01 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity. Structure, 5, 1997
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