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PDB: 676 件
7BNE
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BU of 7bne by Molmil
Notum Nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Notum Inhibitor
To Be Published
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
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2024-01-31
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
7BDG
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BU of 7bdg by Molmil
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
7BM1
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BU of 7bm1 by Molmil
Notum_Valsartan complex
分子名称: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Notum Inhibitor
To Be Published
7BMD
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BU of 7bmd by Molmil
Notum TDZD8 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-20
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Notum Inhibitor TDZD8
To Be Published
7BN5
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BU of 7bn5 by Molmil
Notum fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-isoquinolin-1-ylsulfanylethanoic acid, GLYCEROL, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Notum Inhibitor
To Be Published
7BLT
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BU of 7blt by Molmil
Notum_Maybridge_4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Notum Inhibitor
To Be Published
7BND
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BU of 7bnd by Molmil
Notum_Fragment41 (N-methyl-4,5-dihydronaphtho,2-bthiophene-2-carboxamide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Notum inhibitors
To Be Published
7BM3
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BU of 7bm3 by Molmil
Notum Rosmarinic acid complex
分子名称: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Notum Inhibitor
To Be Published
7BNF
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BU of 7bnf by Molmil
Notum Cotinine
分子名称: (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Notum Inhibitor
To Be Published
7BO5
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BU of 7bo5 by Molmil
Notum Fragment_130_methyEster (methyl 4H-thieno[3,2-c]chromene-2-carboxylate)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Notum Inhibitor
To Be Published
7BLW
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BU of 7blw by Molmil
Notum_Piperine complex
分子名称: (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Notum Inhibitor
To Be Published
7BO1
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BU of 7bo1 by Molmil
Notum Fragment_274 [(4-fluorophenyl)amino]thiourea
分子名称: 1,2-ETHANEDIOL, 1-[(4-fluorophenyl)amino]thiourea, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Notum Fragment Screen
To Be Published
7BM7
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BU of 7bm7 by Molmil
Notum fragment 5e
分子名称: 1-Naphthalenepentanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Notum Inhibitor
To Be Published
7BLU
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BU of 7blu by Molmil
Notum_Maybridge_56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Notum Inhibitor
To Be Published
7BNC
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BU of 7bnc by Molmil
Notum fragment_126 (2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid)
分子名称: 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Notum Inhibitor
To Be Published
7BMB
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BU of 7bmb by Molmil
Notum PPOH complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-prop-2-ynoxyphenyl)hexanoic acid, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Notum Inhibitor PPOH
To Be Published
7BNL
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BU of 7bnl by Molmil
Notum ARUK3003710
分子名称: (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y, Fish, P.V, Svensson, F, Steadman, D.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Notum Inhibitor ARUK3003710
To Be Published
7BNB
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BU of 7bnb by Molmil
Notum fragment_50 (3-(quinazolin-4-ylsulfanyl)propanoic acid)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(quinazolin-4-ylsulfanyl)propanoic acid, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Notum Inhibitor
To Be Published
7BNJ
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BU of 7bnj by Molmil
Notum Riluzole
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Notum Inhibitor
To Be Published
7BO2
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BU of 7bo2 by Molmil
Notum Fragment_130 (4H-thieno[3,2-c]chromene-2-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid, ...
著者Zhao, Y, Jones, E.Y.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Notum Inhibitor
To Be Published
7E6K
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BU of 7e6k by Molmil
Viral protease
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-phenoxyethyl)methanethioamide, ...
著者Zhao, Y, Zhang, Q, Yang, H.T, Rao, Z.H.
登録日2021-02-22
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Viral protease
To be published
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
分子名称: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
著者Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
登録日2014-08-19
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
6R8R
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BU of 6r8r by Molmil
Structure of the Wnt deacylase Notum in complex with isoquinoline 45
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献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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件を2024-06-12に公開中

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