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: | 2024-01-24 | | 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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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: | 2024-11-13 | | 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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3OKT
 | | Mouse Plexin A2, extracellular domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | | Deposit date: | 2010-08-25 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
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3OKW
 | | Mouse Semaphorin 6A, extracellular domains 1-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | | Deposit date: | 2010-08-25 | | Release date: | 2010-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
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6TV4
 | | CFF-Notum complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CAFFEINE, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-01-08 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Caffeine inhibits Notum activity by binding at the catalytic pocket.
Commun Biol, 3, 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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3P56
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3MFF
 | | 1F1E8hu TCR | | Descriptor: | ARGININE, GLYCEROL, T cell receptor alpha chain, ... | | Authors: | van Boxel, G.I, Holmes, S, Fugger, L, Jones, E.Y. | | Deposit date: | 2010-04-02 | | Release date: | 2010-06-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An alternative conformation of the T-cell receptor alpha constant region
J.Mol.Biol., 400, 2010
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3P5J
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3OL2
 | | Receptor-ligand structure of Human Semaphorin 4D with Plexin B1. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, ... | | Authors: | Janssen, B.J.C, Robinson, R.A, Perez-Branguli, F, Bell, C.H, Mitchell, C.J, Siebold, C, Jones, E.Y. | | Deposit date: | 2010-08-25 | | Release date: | 2010-10-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
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3OKY
 | | Plexin A2 in complex with Semaphorin 6A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | | Deposit date: | 2010-08-25 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
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3P87
 | | Structure of human PCNA bound to RNASEH2B PIP box peptide | | Descriptor: | Proliferating cell nuclear antigen, Ribonuclease H2 subunit B | | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | | Deposit date: | 2010-10-13 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates.
Nucleic Acids Res., 39, 2011
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3P83
 | | Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus. | | Descriptor: | DNA polymerase sliding clamp, Ribonuclease HII | | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | | Deposit date: | 2010-10-13 | | Release date: | 2011-02-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates.
Nucleic Acids Res., 39, 2011
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4UFS
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8PXG
 | | Structure of Streptactin, solved at wavelength 2.75 A | | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8BT7
 | | Notum Inhibitor ARUK3004903 | | Descriptor: | 1,2-ETHANEDIOL, 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | 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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8BSQ
 | | Notum Inhibitor ARUK3006561 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BTC
 | | Notum Inhibitor ARUK3004558 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BTI
 | | Notum Inhibitor ARUK3004556 | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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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: | 2024-10-23 | | 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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8BSP
 | | Notum Inhibitor ARUK3006560 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BSR
 | | Notum Inhibitor ARUK3006562 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BT2
 | | Notum Inhibitor ARUK3004876 | | Descriptor: | 1,2-ETHANEDIOL, 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BTE
 | | Notum Inhibitor ARUK3004470 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BT0
 | | Notum Inhibitor ARUK3005518 | | Descriptor: | (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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