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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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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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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7B86
 | | Notum-Fragment067 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 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: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8A
 | | Notum-Fragment 110 | | Descriptor: | 1,2-ETHANEDIOL, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 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: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Notum Fragment Screen
To Be Published
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7B87
 | | Notum-Fragment074 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B89
 | | Notum-Fragment077 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8C
 | | Notum-Fragment 147 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B84
 | | Notum-Fragment065 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8D
 | | Notum-Fragment 151 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8G
 | | Notum-Fragment 159 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenylmethoxyaniline, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8F
 | | Notum-Fragment 154 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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1QFP
 | | N-TERMINAL DOMAIN OF SIALOADHESIN (MOUSE) | | Descriptor: | PROTEIN (SIALOADHESIN) | | Authors: | May, A.P, Robinson, R.C, Burtnick, L, Crocker, P.R, Jones, E.Y. | | Deposit date: | 1999-04-12 | | Release date: | 1999-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the N-terminal domain of sialoadhesin in complex with 3' sialyllactose at 1.85 A resolution.
Mol.Cell, 1, 1998
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1QFO
 | | N-TERMINAL DOMAIN OF SIALOADHESIN (MOUSE) IN COMPLEX WITH 3'SIALYLLACTOSE | | Descriptor: | N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, PROTEIN (SIALOADHESIN) | | Authors: | May, A.P, Robinson, R.C, Vinson, M, Crocker, P.R, Jones, E.Y. | | Deposit date: | 1999-04-12 | | Release date: | 1999-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the N-terminal domain of sialoadhesin in complex with 3' sialyllactose at 1.85 A resolution.
Mol.Cell, 1, 1998
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1QLF
 | | MHC CLASS I H-2DB COMPLEXED WITH GLYCOPEPTIDE K3G | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, HUMAN BETA-2-MICROGLOBULIN, ... | | Authors: | Tormo, J, Jones, E.Y. | | Deposit date: | 1999-08-30 | | Release date: | 1999-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structures of Two H-2Db/Glycopeptide Complexes Suggest a Molecular Basis for Ctl Cross-Reactivity
Immunity, 10, 1999
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1QQR
 | | CRYSTAL STRUCTURE OF STREPTOKINASE DOMAIN B | | Descriptor: | STREPTOKINASE DOMAIN B | | Authors: | Spraggon, G, Zhang, X.X, Ponting, C.P, Fox, V.F, Phillips, C, Smith, R.A.G, Jones, E.Y, Dobson, C, Stuart, D.I. | | Deposit date: | 1999-06-07 | | Release date: | 1999-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Streptokinse Domain B
To be Published
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1UVQ
 | | Crystal structure of HLA-DQ0602 in complex with a hypocretin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCINE, ... | | Authors: | Siebold, C, Hansen, B.E, Wyer, J.R, Harlos, K, Esnouf, R.E, Svejgaard, A, Bell, J.I, Strominger, J.L, Jones, E.Y, Fugger, L. | | Deposit date: | 2004-01-22 | | Release date: | 2004-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Hla-Dq0602 that Protects Against Type 1 Diabetes and Confers Strong Susceptibility to Narcolepsy
Proc.Natl.Acad.Sci.USA, 101, 2004
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1UQS
 | | The Crystal Structure of Human CD1b with a Bound Bacterial Glycolipid | | Descriptor: | BETA-2-MICROGLOBULIN, GLUCOSE MONOMYCOLATE, T-CELL SURFACE GLYCOPROTEIN CD1B | | Authors: | Batuwangala, T, Shepherd, D, Gadola, S.D, Gibson, K.J.C, Zaccai, N.R, Besra, G.S, Cerundolo, V, Jones, E.Y. | | Deposit date: | 2003-10-16 | | Release date: | 2003-10-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of human CD1b with a bound bacterial glycolipid.
J Immunol., 172, 2004
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1UOS
 | | The Crystal Structure of the Snake Venom Toxin Convulxin | | Descriptor: | CONVULXIN ALPHA, CONVULXIN BETA | | Authors: | Batuwangala, T, Leduc, M, Gibbins, J.M, Bon, C, Jones, E.Y. | | Deposit date: | 2003-09-22 | | Release date: | 2003-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Snake-Venom Toxin Convulxin
Acta Crystallogr.,Sect.D, 60, 2004
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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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6ZYF
 | | Notum_Ghrelin complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-07-31 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
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7ARG
 | | Notum in complex with ARUK3002704 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-10-24 | | 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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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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7B3X
 | | Notum complex with ARUK3003748 | | Descriptor: | 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Fish, P, Jones, E.Y. | | 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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