7PKV
| Notum_Inhibitor ARUK3000223 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-26 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
|
|
6QP7
| Drosophila Semaphorin 2a | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6QP8
| Drosophila Semaphorin 2b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6QP9
| Drosophila Semaphorin 1a, 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, Semaphorin-1A | Authors: | Rozbesky, D, Robinson, R.A, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6R8P
| Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
|
|
1ZT4
| The crystal structure of human CD1d with and without alpha-Galactosylceramide | Descriptor: | Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d | Authors: | Koch, M, Stronge, V.S, Shepherd, D, Gadola, S.D, Mathew, B, Ritter, G, Fersht, A.R, Besra, G.S, Schmidt, R.R, Jones, E.Y, Cerundolo, V, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-05-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of human CD1d with and without alpha-galactosylceramide Nat.Immunol., 6, 2005
|
|
4UYU
| |
4UZ7
| |
4UZ6
| STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM V - SOS COMPLEX - 1.9A | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zebisch, M, Jones, E.Y. | Deposit date: | 2014-09-04 | Release date: | 2015-02-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Notum Deacylates Wnt Proteins to Suppress Signalling Activity. Nature, 519, 2015
|
|
4UZ5
| |
4V2D
| FLRT2 LRR domain | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2 | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | Deposit date: | 2014-10-08 | Release date: | 2014-11-05 | Last modified: | 2015-07-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development Neuron, 84, 2014
|
|
4V2C
| mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | Deposit date: | 2014-10-08 | Release date: | 2014-11-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development Neuron, 84, 2014
|
|
4UZQ
| |
4WBH
| |
4V2E
| FLRT3 LRR domain | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3 | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | Deposit date: | 2014-10-08 | Release date: | 2014-11-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development. Neuron, 84, 2014
|
|
6GL1
| HLA-E*01:03 in complex with the HIV epitope, RL9HIV | Descriptor: | ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-22 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.623 Å) | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
|
|
4PBV
| Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ... | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2014-04-14 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis. Nat Commun, 5, 2014
|
|
4PBX
| Crystal structure of the six N-terminal domains of human receptor protein tyrosine phosphatase sigma | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase S | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2014-04-14 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis. Nat Commun, 5, 2014
|
|
4PBW
| Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2014-04-14 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis. Nat Commun, 5, 2014
|
|
4GZ9
| Mouse Neuropilin-1, extracellular domains 1-4 (a1a2b1b2) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y. | Deposit date: | 2012-09-06 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex. Nat.Struct.Mol.Biol., 19, 2012
|
|
4GZ8
| Mouse Semaphorin 3A, domains Sema-PSI-IG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y. | Deposit date: | 2012-09-06 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex. Nat.Struct.Mol.Biol., 19, 2012
|
|
4GZA
| Complex of mouse Plexin A2 - Semaphorin 3A - Neuropilin-1 | Descriptor: | CALCIUM ION, Neuropilin-1, Plexin-A2, ... | Authors: | Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y. | Deposit date: | 2012-09-06 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (7 Å) | Cite: | Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex. Nat.Struct.Mol.Biol., 19, 2012
|
|
6XTZ
| |
6YV0
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | Descriptor: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruza, R.R, Hillier, J, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
|
|
6YUY
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Hillier, J, Ruza, R.R, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
|
|