7B50
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![BU of 7b50 by Molmil](/molmil-images/mine/7b50) | Notum complex with ARUK3003778 | Descriptor: | 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Jones, E.Y, Fish, P. | Deposit date: | 2020-12-03 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 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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7B4X
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![BU of 7b4x by Molmil](/molmil-images/mine/7b4x) | Notum complex with ARUK3002697 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Jones, E.Y, Fish, P. | Deposit date: | 2020-12-02 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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1HNG
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![BU of 1hng by Molmil](/molmil-images/mine/1hng) | CRYSTAL STRUCTURE AT 2.8 ANGSTROMS RESOLUTION OF A SOLUBLE FORM OF THE CELL ADHESION MOLECULE CD2 | Descriptor: | CD2 | Authors: | Jones, E.Y, Davis, S.J, Williams, A.F, Harlos, K, Stuart, D.I. | Deposit date: | 1994-08-10 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure at 2.8 A resolution of a soluble form of the cell adhesion molecule CD2. Nature, 360, 1992
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1VCA
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![BU of 1vca by Molmil](/molmil-images/mine/1vca) | CRYSTAL STRUCTURE OF AN INTEGRIN-BINDING FRAGMENT OF VASCULAR CELL ADHESION MOLECULE-1 AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | HUMAN VASCULAR CELL ADHESION MOLECULE-1 | Authors: | Jones, E.Y, Harlos, K, Bottomley, M.J, Robinson, R.C, Driscoll, P.C, Edwards, R.M, Clements, J.M, Dudgeon, T.J, Stuart, D.I. | Deposit date: | 1995-03-21 | Release date: | 1995-09-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an integrin-binding fragment of vascular cell adhesion molecule-1 at 1.8 A resolution. Nature, 373, 1995
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6XTZ
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![BU of 6xtz by Molmil](/molmil-images/mine/6xtz) | |
4UZ5
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![BU of 4uz5 by Molmil](/molmil-images/mine/4uz5) | |
4V2D
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![BU of 4v2d by Molmil](/molmil-images/mine/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
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6R8Q
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![BU of 6r8q by Molmil](/molmil-images/mine/6r8q) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8R
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![BU of 6r8r by Molmil](/molmil-images/mine/6r8r) | Structure of the Wnt deacylase Notum in complex with isoquinoline 45 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6RZ3
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![BU of 6rz3 by Molmil](/molmil-images/mine/6rz3) | Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP | Descriptor: | Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION | Authors: | Chen, S, Ren, J, Jones, E.Y, Lu, X. | Deposit date: | 2019-06-12 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.23 Å) | Cite: | iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition. Proc.Natl.Acad.Sci.USA, 116, 2019
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3MFF
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![BU of 3mff by Molmil](/molmil-images/mine/3mff) | 1F1E8hu TCR | Descriptor: | ARGININE, GLYCEROL, T cell receptor alpha chain, ... | Authors: | van Boxel, G.I, Holmes, S, Fugger, L, Jones, E.Y. | Deposit date: | 2010-04-02 | Release date: | 2010-06-02 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An alternative conformation of the T-cell receptor alpha constant region J.Mol.Biol., 400, 2010
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4GZA
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![BU of 4gza by Molmil](/molmil-images/mine/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
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1EPF
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![BU of 1epf by Molmil](/molmil-images/mine/1epf) | CRYSTAL STRUCTURE OF THE TWO N-TERMINAL IMMUNOGLOBULIN DOMAINS OF THE NEURAL CELL ADHESION MOLECULE (NCAM) | Descriptor: | CALCIUM ION, PROTEIN (NEURAL CELL ADHESION MOLECULE) | Authors: | Kasper, C, Rasmussen, H, Kastrup, J.S, Ikemizu, S, Jones, E.Y, Berezin, V, Bock, E, Larsen, I.K. | Deposit date: | 2000-03-29 | Release date: | 2000-10-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of cell-cell adhesion by NCAM. Nat.Struct.Biol., 7, 2000
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1EMR
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![BU of 1emr by Molmil](/molmil-images/mine/1emr) | CRYSTAL STRUCTURE OF HUMAN LEUKEMIA INHIBITORY FACTOR (LIF) | Descriptor: | LEUKEMIA INHIBITORY FACTOR | Authors: | Robinson, R.C, Heath, J.K, Hawkins, N, Samal, B, Jones, E.Y, Betzel, C. | Deposit date: | 2000-03-17 | Release date: | 2001-03-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Species Variation in Receptor Binding Site Revealed by the Medium Resolution X-ray Structure of Human Leukemia Inhibitory Factor to be published
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4PBX
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![BU of 4pbx by Molmil](/molmil-images/mine/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
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4PBW
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![BU of 4pbw by Molmil](/molmil-images/mine/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
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3GJF
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![BU of 3gjf by Molmil](/molmil-images/mine/3gjf) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ... | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
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3GIV
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![BU of 3giv by Molmil](/molmil-images/mine/3giv) | Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance | Descriptor: | Beta-2-microglobulin, HIV-1 peptide, HLA class I histocompatibility antigen, ... | Authors: | Stewart-Jones, G, Iversen, A.K.N, Jones, E.Y. | Deposit date: | 2009-03-06 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance Nat.Immunol., 10, 2009
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3GJE
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![BU of 3gje by Molmil](/molmil-images/mine/3gje) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Fab Heavy Chain, Fab Light Chain | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
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4UFR
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![BU of 4ufr by Molmil](/molmil-images/mine/4ufr) | |
2YPK
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![BU of 2ypk by Molmil](/molmil-images/mine/2ypk) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-57 ALPHA CHAIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, Van Der Merwe, P.A, Easterbrook, P, Mcmichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
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2YPL
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![BU of 2ypl by Molmil](/molmil-images/mine/2ypl) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
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4UZ6
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![BU of 4uz6 by Molmil](/molmil-images/mine/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
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4V2C
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![BU of 4v2c by Molmil](/molmil-images/mine/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
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4UZQ
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![BU of 4uzq by Molmil](/molmil-images/mine/4uzq) | |