6YXI
 
 | | Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y. | | 登録日 | 2020-05-01 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | 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
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6YV4
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686 | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
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6YV0
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | | 分子名称: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
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6YUY
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
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6ZVL
 | | ARUK3000263 complex with Notum | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ... | | 著者 | Zhao, Y, Ruza, R. | | 登録日 | 2020-07-24 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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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6YSK
 | | 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | | 分子名称: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2020-04-22 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | 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
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1AKG
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4XL1
 | | Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Luca, V.C, Jude, K.M, Garcia, K.C. | | 登録日 | 2015-01-13 | | 公開日 | 2015-03-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural biology. Structural basis for Notch1 engagement of Delta-like 4.
Science, 347, 2015
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4XLW
 | | Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Delta-like protein, ... | | 著者 | Luca, V.C, Jude, K.M, Garcia, K.C. | | 登録日 | 2015-01-13 | | 公開日 | 2015-03-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.39 Å) | | 主引用文献 | Structural biology. Structural basis for Notch1 engagement of Delta-like 4.
Science, 347, 2015
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1PEN
 | | ALPHA-CONOTOXIN PNI1 | | 分子名称: | ALPHA-CONOTOXIN PNIA | | 著者 | Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L. | | 登録日 | 1996-01-29 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
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6TR7
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5L0R
 | | human POGLUT1 in complex with Notch1 EGF12 and UDP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Li, Z, Rini, J.M. | | 登録日 | 2016-07-28 | | 公開日 | 2017-08-09 | | 最終更新日 | 2021-03-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
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6T2H
 | | Furano[2,3-d]prymidine amides as Notum inhibitors | | 分子名称: | 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, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2019-10-08 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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2JMF
 | | Solution structure of the Su(dx) WW4- Notch PY peptide complex | | 分子名称: | E3 ubiquitin-protein ligase suppressor of deltex, Neurogenic locus Notch protein | | 著者 | Avis, J.M, Blankley, R.T, Jennings, M.D, Golovanov, A.P. | | 登録日 | 2006-11-05 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Specificity and Autoregulation of Notch Binding by Tandem WW Domains in Suppressor of Deltex
J.Biol.Chem., 282, 2007
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6T2K
 | | Furano[2,3-d]prymidine amides as Notum inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2019-10-08 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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4D0F
 | | Human Notch1 EGF domains 11-13 mutant T466A | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-04-25 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CUE
 | | Human Notch1 EGF domains 11-13 mutant T466V | | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-03-18 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5FM9
 | | human Notch 1, EGF 4-7 | | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
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4CUD
 | | Human Notch1 EGF domains 11-13 mutant fucosylated at T466 | | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, alpha-L-fucopyranose | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-03-18 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4D0E
 | | Human Notch1 EGF domains 11-13 mutant GlcNAc-fucose disaccharide modified at T466 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-04-25 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CUF
 | | Human Notch1 EGF domains 11-13 mutant T466S | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-03-18 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5UB5
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5FMA
 | | human Notch 1, EGF 4-7 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
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1FPY
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3L95
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