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PDB: 689 results

7BD5
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BU of 7bd5 by Molmil
Notum Fragment 830
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-12-21
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.69 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
7B8G
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BU of 7b8g by Molmil
Notum-Fragment 159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenylmethoxyaniline, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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
7BAP
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BU of 7bap by Molmil
Notum Fragment 648
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-12-16
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BLT
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BU of 7blt by Molmil
Notum_Maybridge_4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Notum Inhibitor
To Be Published
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:2024-10-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BND
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BU of 7bnd by Molmil
Notum_Fragment41 (N-methyl-4,5-dihydronaphtho,2-bthiophene-2-carboxamide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide, ...
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 (2.1 Å)
Cite:Notum inhibitors
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:2024-10-09
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:2024-10-16
Method:X-RAY DIFFRACTION (1.7 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:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Notum Inhibitor
To Be Published
7BLW
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BU of 7blw by Molmil
Notum_Piperine complex
Descriptor: (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, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 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
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
7BN8
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BU of 7bn8 by Molmil
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
7BM1
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BU of 7bm1 by Molmil
Notum_Valsartan complex
Descriptor: (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, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.37 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:2024-10-16
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Notum Inhibitor ARUK3003710
To Be Published
7BLU
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BU of 7blu by Molmil
Notum_Maybridge_56
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.21 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:2024-10-16
Method:X-RAY DIFFRACTION (1.4 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
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
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
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:2024-10-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Notum Inhibitor
To Be Published

226707

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