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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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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1D4V
 | | Crystal structure of trail-DR5 complex | | Descriptor: | DEATH RECEPTOR 5, TNF-RELATED APOPTOSIS INDUCING LIGAND | | Authors: | Mongkolsapaya, J, Grimes, J.M, Stuart, D.I, Jones, E.Y, Screaton, G.R. | | Deposit date: | 1999-10-06 | | Release date: | 1999-11-01 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the TRAIL-DR5 complex reveals mechanisms conferring specificity in apoptotic initiation
Nat.Struct.Biol., 6, 1999
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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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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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1CE6
 | | MHC CLASS I H-2DB COMPLEXED WITH A SENDAI VIRUS NUCLEOPROTEIN PEPTIDE | | Descriptor: | PROTEIN (HUMAN BETA-2 MICROGLOBULIN), PROTEIN (MHC CLASS I H-2DB HEAVY CHAIN), PROTEIN (SENDAI VIRUS NUCLEOPROTEIN), ... | | Authors: | Tormo, J, Jones, E.Y. | | Deposit date: | 1999-03-17 | | Release date: | 1999-03-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 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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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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7B3P
 | | Notum complex with ARUK3003775 | | Descriptor: | 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-12-01 | | 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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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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7B45
 | | Notum complex with ARUK3003934 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, ... | | Authors: | Fish, P, Jones, E.Y. | | Deposit date: | 2020-12-02 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.38 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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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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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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7B99
 | | Notum Fragment 283 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B9I
 | | Notum Fragment 297 | | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BA1
 | | Notum Fragment 634 | | Descriptor: | 1-ethanoylpiperidine-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-15 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B9N
 | | Notum Fragment 588 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BCD
 | | Notum Fragment 714 | | Descriptor: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-19 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BC9
 | | Notum Fragment 690 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-18 | | 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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7BD3
 | | Notum Fragment 823 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methoxy-6-phenyl-pyrimidin-2-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BD6
 | | Notum Fragment 863 | | Descriptor: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BD8
 | | Notum Fragment 872 | | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BDF
 | | Notum Fragment 927 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-phenoxyethanoyl)piperazin-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | 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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7BDH
 | | Notum Fragment 955 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-(2,1,3-Benzothiadiazol-5-yl)acetamide, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | 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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7BCI
 | | Notum Fragment 784 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-19 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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