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7BCK
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BU of 7bck by Molmil
Notum Fragment 791
Descriptor: (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide, 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 (1.7 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD9
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BU of 7bd9 by Molmil
Notum Fragment 886
Descriptor: (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, 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 (1.59 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9D
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BU of 7b9d by Molmil
Notum Fragment 290
Descriptor: 2-(4-acetamidophenoxy)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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 (1.93 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDC
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BU of 7bdc by Molmil
Notum Fragment 923
Descriptor: 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine, 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 (1.32 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B99
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BU of 7b99 by Molmil
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
7B9I
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BU of 7b9i by Molmil
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
7BA1
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BU of 7ba1 by Molmil
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
7BCD
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BU of 7bcd by Molmil
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
7B9N
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BU of 7b9n by Molmil
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
7BNB
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BU of 7bnb by Molmil
Notum fragment_50 (3-(quinazolin-4-ylsulfanyl)propanoic acid)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(quinazolin-4-ylsulfanyl)propanoic acid, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Notum Inhibitor
To Be Published
7BMD
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BU of 7bmd by Molmil
Notum TDZD8 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Notum Inhibitor TDZD8
To Be Published
7BNF
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BU of 7bnf by Molmil
Notum Cotinine
Descriptor: (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Notum Inhibitor
To Be Published
7BN8
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Notum fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Notum Inhibitor
To Be Published
7BO1
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BU of 7bo1 by Molmil
Notum Fragment_274 [(4-fluorophenyl)amino]thiourea
Descriptor: 1,2-ETHANEDIOL, 1-[(4-fluorophenyl)amino]thiourea, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Notum Fragment Screen
To Be Published
7BNE
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BU of 7bne by Molmil
Notum Nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Notum Inhibitor
To Be Published
7BN5
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BU of 7bn5 by Molmil
Notum fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-isoquinolin-1-ylsulfanylethanoic acid, GLYCEROL, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Notum Inhibitor
To Be Published
7BMB
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BU of 7bmb by Molmil
Notum PPOH complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-prop-2-ynoxyphenyl)hexanoic acid, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Notum Inhibitor PPOH
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)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Notum Inhibitor
To Be Published
7BNJ
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BU of 7bnj by Molmil
Notum Riluzole
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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)
Descriptor: 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Notum Inhibitor
To Be Published
7BNL
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BU of 7bnl by Molmil
Notum ARUK3003710
Descriptor: (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, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.V, Svensson, F, Steadman, D.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Notum Inhibitor ARUK3003710
To Be Published
7BM7
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BU of 7bm7 by Molmil
Notum fragment 5e
Descriptor: 1-Naphthalenepentanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Notum Inhibitor
To Be Published
7BM3
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BU of 7bm3 by Molmil
Notum Rosmarinic acid complex
Descriptor: (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, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Notum Inhibitor
To Be Published
7B2Z
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BU of 7b2z by Molmil
Notum complex with ARUK3003907
Descriptor: DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-28
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

225399

数据于2024-09-25公开中

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