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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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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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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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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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: | 2022-07-27 | | 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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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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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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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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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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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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1OD9
 | | N-terminal of Sialoadhesin in complex with Me-a-9-N-benzoyl-amino-9-deoxy-Neu5Ac (BENZ compound) | | Descriptor: | SIALOADHESIN, SULFATE ION, methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | | Authors: | Zaccai, N.R, Maenaka, K, Maenaka, T, Crocker, P.R, Brossmer, R, Kelm, S, Jones, E.Y. | | Deposit date: | 2003-02-14 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of Sialic Acid-Based Siglec Inhibitors and Crystallographic Analysis in Complex with Sialoadhesin
Structure, 11, 2003
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1ODA
 | | N-terminal of Sialoadhesin in complex with Me-a-9-N-(biphenyl-4-carbonyl)-amino-9-deoxy-Neu5Ac (BIP compound) | | Descriptor: | ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC, SIALOADHESIN | | Authors: | Zaccai, N.R, Maenaka, K, Maenaka, T, Crocker, P.R, Brossmer, R, Kelm, S, Jones, E.Y. | | Deposit date: | 2003-02-14 | | Release date: | 2003-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structure Guided Design of Sialic Acid-Based Siglec Inhibitors and Crystallographic Analysis in Complex with Sialoadhesin
Structure, 11, 2003
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1OD7
 | | N-terminal of Sialoadhesin in complex with Me-a-9-N-(naphthyl-2-carbonyl)-amino-9-deoxy-Neu5Ac (NAP compound) | | Descriptor: | ME-A-9-N-(NAPHTHYL-2-CARBONYL)-AMINO-9-DEOXY-NEU5AC, SIALOADHESIN | | Authors: | Zaccai, N.R, Maenaka, K, Maenaka, T, Crocker, P.R, Brossmer, R, Kelm, S, Jones, E.Y. | | Deposit date: | 2003-02-14 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Guided Design of Sialic Acid-Based Siglec Inhibitors and Crystallographic Analysis in Complex with Sialoadhesin
Structure, 11, 2003
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1OEB
 | | Mona/Gads SH3C domain | | Descriptor: | CADMIUM ION, GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2 | | Authors: | Harkiolaki, M, Lewitzky, M, Gilbert, R.J.C, Jones, E.Y, Bourette, R.P, Mouchiroud, G, Sondermann, H, Moarefi, I, Feller, S.M. | | Deposit date: | 2003-03-24 | | Release date: | 2003-04-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for SH3 Domain-Mediated High-Affinity Binding between Mona/Gads and Slp-76
Embo J., 22, 2003
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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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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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1OLZ
 | | The ligand-binding face of the semaphorins revealed by the high resolution crystal structure of SEMA4D | | Descriptor: | SEMAPHORIN 4D | | Authors: | Love, C.A, Harlos, K, Mavaddat, N, Davis, S.J, Stuart, D.I, Jones, E.Y, Esnouf, R.M. | | Deposit date: | 2003-08-19 | | Release date: | 2003-09-11 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Ligand-Binding Face of the Semaphorins Revealed by the High-Resolution Crystal Structure of Sema4D
Nat.Struct.Biol., 10, 2003
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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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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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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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3ZYI
 | | NetrinG2 in complex with NGL2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, LEUCINE-RICH REPEAT-CONTAINING PROTEIN 4, ... | | Authors: | Seiradake, E, Coles, C.H, Perestenko, P.V, Harlos, K, McIlhinney, R.A.J, Aricescu, A.R, Jones, E.Y. | | Deposit date: | 2011-08-23 | | Release date: | 2011-10-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Cell Surface Patterning Through Netring-Ngl Interactions
Embo J., 30, 2011
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3ZYG
 | | NETRING2 LAM AND EGF1 DOMAINS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NETRIN-G2 | | Authors: | Seiradake, E, Coles, C.H, Perestenko, P.V, Harlos, K, Mcilhinney, R.A.J, Aricescu, A.R, Jones, E.Y. | | Deposit date: | 2011-08-22 | | Release date: | 2011-10-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Cell Surface Patterning Through Netring-Ngl Interactions.
Embo J., 30, 2011
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