7B3F
| Notum S232A in complex with ARUK3003718 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-30 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B37
| Notum complex with ARUK3003718 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B2Y
| Notum complex with ARUK3003910 | Descriptor: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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7B2V
| Notum complex with ARUK3003906 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
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3J89
| Structural Plasticity of Helical Nanotubes Based on Coiled-Coil Assemblies | Descriptor: | synthetic peptide | Authors: | Egelman, E.H, Xu, C, DiMaio, F, Magnotti, E, Modlin, C, Yu, X, Wright, E, Baker, D, Conticello, V.P. | Deposit date: | 2014-10-07 | Release date: | 2015-02-11 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural plasticity of helical nanotubes based on coiled-coil assemblies. Structure, 23, 2015
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1AEV
| INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2-AMINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME (2-AMINOTHIAZOLE) | Descriptor: | 2-AMINOTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Fitzgerald, M.M, Jensen, G.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Introduction of novel substrate oxidation into cytochrome c peroxidase by cavity complementation: oxidation of 2-aminothiazole and covalent modification of the enzyme. Biochemistry, 36, 1997
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2RR0
| Structure of epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | Descriptor: | Neurogenic locus notch homolog protein 1 | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | Deposit date: | 2010-02-26 | Release date: | 2010-10-13 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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2RQZ
| Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1 | Authors: | Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S. | Deposit date: | 2010-02-26 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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1AE7
| NOTEXIN, A PRESYNAPTIC NEUROTOXIC PHOSPHOLIPASE A2 | Descriptor: | PHOSPHOLIPASE A2, SULFATE ION | Authors: | Westerlund, B, Nordlund, P, Uhlin, U, Eaker, D, Eklund, H. | Deposit date: | 1997-03-06 | Release date: | 1997-05-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of notexin, a presynaptic neurotoxic phospholipase A2 at 2.0 A resolution. FEBS Lett., 301, 1992
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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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5KZO
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5CZX
| Crystal structure of Notch3 NRR in complex with 20358 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20358 Fab heavy chain, ... | Authors: | Hu, T, Fryer, C, Chopra, R, Clark, K. | Deposit date: | 2015-08-01 | Release date: | 2016-06-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies. Oncogene, 35, 2016
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4ZLP
| Crystal Structure of Notch3 Negative Regulatory Region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2015-05-01 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region. Structure, 23, 2015
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5CZV
| Crystal structure of Notch3 NRR in complex with 20350 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 20350 heavy chain, ... | Authors: | Hu, T, Fryer, C, Chopra, R, Clark, K. | Deposit date: | 2015-08-01 | Release date: | 2016-06-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies. Oncogene, 35, 2016
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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: | 2024-01-24 | 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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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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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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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: | 2023-06-28 | 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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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: | 2023-06-28 | 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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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: | 2023-06-28 | 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: | 2023-06-28 | 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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