7B8U
 
 | | Notum-Fragment 201 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Z
 | | Notum-Fragment 277 | | Descriptor: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BLS
 | | Notum-maybridge_18 | | Descriptor: | 2-[(3-Nitro-2-pyridyl)thio]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Notum Fragment Screen
To Be Published
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7BLI
 | | Notum-Bepridil complex | | Descriptor: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Notum Fragment Screen
To Be Published
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6S9F
 | | Drosophila OTK, extracellular domains 3-5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tyrosine-protein kinase-like otk | | Authors: | Rozbesky, D, Jones, E.Y. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Drosophila OTK Is a Glycosaminoglycan-Binding Protein with High Conformational Flexibility.
Structure, 28, 2020
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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: | 2020-07-29 | | 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: | 2024-05-22 | | 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: | 2024-05-22 | | 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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6T2H
 | | Furano[2,3-d]prymidine amides as Notum inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic 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: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 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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6TFM
 | | Frizzled8 CRD | | Descriptor: | Frizzled-8 | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | 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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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: | 2024-01-24 | | 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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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: | 2024-01-24 | | 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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3SUA
 | | Crystal structure of the intracellular domain of Plexin-B1 in complex with Rac1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B1, ... | | Authors: | Bell, C.H, Aricescu, A.R, Jones, E.Y, Siebold, C. | | Deposit date: | 2011-07-11 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.39 Å) | | Cite: | A Dual Binding Mode for RhoGTPases in Plexin Signalling.
Plos Biol., 9, 2011
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3SU8
 | | Crystal structure of a truncated intracellular domain of Plexin-B1 in complex with Rac1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B1, ... | | Authors: | Bell, C.H, Aricescu, A.R, Jones, E.Y, Siebold, C. | | Deposit date: | 2011-07-11 | | Release date: | 2011-09-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A Dual Binding Mode for RhoGTPases in Plexin Signalling.
Plos Biol., 9, 2011
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1A1O
 | | MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ... | | Authors: | Smith, K.J, Reid, S.W, Harlos, K, Mcmichael, A.J, Stuart, D.I, Bell, J.I, Jones, E.Y. | | Deposit date: | 1997-12-11 | | Release date: | 1998-04-08 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53.
Immunity, 4, 1996
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1A1N
 | | MHC CLASS I MOLECULE B*3501 COMPLEXED WITH PEPTIDE VPLRPMTY FROM THE NEF PROTEIN (75-82) OF HIV1 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ... | | Authors: | Smith, K.J, Reid, S.W, Stuart, D.I, Mcmichael, A.J, Jones, E.Y, Bell, J.I. | | Deposit date: | 1997-12-11 | | Release date: | 1998-04-08 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An altered position of the alpha 2 helix of MHC class I is revealed by the crystal structure of HLA-B*3501.
Immunity, 4, 1996
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1A1M
 | | MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE TPYDINQML FROM GAG PROTEIN OF HIV2 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ... | | Authors: | Smith, K.J, Reid, S.W, Harlos, K, Mcmichael, A.J, Stuart, D.I, Bell, J.I, Jones, E.Y. | | Deposit date: | 1997-12-11 | | Release date: | 1998-04-08 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53.
Immunity, 4, 1996
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1AKJ
 | | COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8 | | Descriptor: | BETA 2-MICROGLOBULIN, HIV REVERSE TRANSCRIPTASE EPITOPE, MHC CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), ... | | Authors: | Tormo, J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1997-05-21 | | Release date: | 1997-09-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the complex between human CD8alpha(alpha) and HLA-A2.
Nature, 387, 1997
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1B6U
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1B8K
 | | Neurotrophin-3 from Human | | Descriptor: | PROTEIN (NEUROTROPHIN-3) | | Authors: | Robinson, R.C, Radziejewski, C, Stuart, D.I, Jones, E.Y, Choe, S. | | Deposit date: | 1999-02-01 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The structures of the neurotrophin 4 homodimer and the brain-derived neurotrophic factor/neurotrophin 4 heterodimer reveal a common Trk-binding site.
Protein Sci., 8, 1999
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1BQU
 | | CYTOKYNE-BINDING REGION OF GP130 | | Descriptor: | GLYCEROL, PROTEIN (GP130), SULFATE ION | | Authors: | Bravo, J, Staunton, D, Heath, J.K, Jones, E.Y. | | Deposit date: | 1998-08-18 | | Release date: | 1998-08-26 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a cytokine-binding region of gp130.
EMBO J., 17, 1998
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1BND
 | | STRUCTURE OF THE BRAIN-DERIVED NEUROTROPHIC FACTOR(SLASH)NEUROTROPHIN 3 HETERODIMER | | Descriptor: | BRAIN DERIVED NEUROTROPHIC FACTOR, ISOPROPYL ALCOHOL, NEUROTROPHIN 3 | | Authors: | Robinson, R.C, Radziejewski, C, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1994-12-12 | | Release date: | 1996-04-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the brain-derived neurotrophic factor/neurotrophin 3 heterodimer.
Biochemistry, 34, 1995
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1CCZ
 | | CRYSTAL STRUCTURE OF THE CD2-BINDING DOMAIN OF CD58 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 3) AT 1.8-A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CD58) | | Authors: | Ikemizu, S, Sparks, L.M, Van Der Merwe, P.A, Harlos, K, Stuart, D.I, Jones, E.Y, Davis, S.J. | | Deposit date: | 1999-03-02 | | Release date: | 1999-04-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the CD2-binding domain of CD58 (lymphocyte function-associated antigen 3) at 1.8-A resolution.
Proc.Natl.Acad.Sci.USA, 96, 1999
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