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PDB: 381 件
4UZ5
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BU of 4uz5 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM IV - 2.1A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, NOTUM
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4V2D
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BU of 4v2d by Molmil
FLRT2 LRR domain
分子名称: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2
著者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.
登録日2014-10-08
公開日2014-11-05
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4UZ7
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BU of 4uz7 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VI - 2.2A
分子名称: CHLORIDE ION, PROTEIN NOTUM HOMOLOG
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4UZ6
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BU of 4uz6 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM V - SOS COMPLEX - 1.9A
分子名称: 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, ...
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
7ARG
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BU of 7arg by Molmil
Notum in complex with ARUK3002704
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-10-24
公開日2021-08-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B3X
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BU of 7b3x by Molmil
Notum complex with ARUK3003748
分子名称: 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Fish, P, Jones, E.Y.
登録日2020-12-01
公開日2021-12-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3I
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Notum complex with ARUK3003776
分子名称: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y, Fish, P.
登録日2020-12-01
公開日2021-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3H
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BU of 7b3h by Molmil
Notum complex with ARUK3003909
分子名称: 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y, Fish, P.
登録日2020-11-30
公開日2021-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3P
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Notum complex with ARUK3003775
分子名称: 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y, Fish, P.
登録日2020-12-01
公開日2021-12-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B45
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Notum complex with ARUK3003934
分子名称: 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, ...
著者Fish, P, Jones, E.Y.
登録日2020-12-02
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
6ZUV
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Notum fragment 286
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-07-23
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 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
7B99
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Notum Fragment 283
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9I
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Notum Fragment 297
分子名称: 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BA1
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Notum Fragment 634
分子名称: 1-ethanoylpiperidine-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-15
公開日2022-01-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9N
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BU of 7b9n by Molmil
Notum Fragment 588
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCC
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BU of 7bcc by Molmil
Notum Fragment 705
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-pyrrol-1-ylphenyl)morpholine, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD2
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BU of 7bd2 by Molmil
Notum Fragment 810
分子名称: DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BC9
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Notum Fragment 690
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD3
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BU of 7bd3 by Molmil
Notum Fragment 823
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methoxy-6-phenyl-pyrimidin-2-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD6
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Notum Fragment 863
分子名称: 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDG
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Notum Fragment 934
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD8
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Notum Fragment 872
分子名称: (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B98
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Notum Fragment 282
分子名称: (3-phenyl-1,2-oxazol-5-yl)methylazanium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9U
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Notum Fragment 609
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDF
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Notum Fragment 927
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-phenoxyethanoyl)piperazin-2-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022

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