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7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7BLS
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BU of 7bls by Molmil
Notum-maybridge_18
Descriptor: 2-[(3-Nitro-2-pyridyl)thio]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Notum Fragment Screen
To Be Published
7BLI
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BU of 7bli by Molmil
Notum-Bepridil complex
Descriptor: 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Notum Fragment Screen
To Be Published
7B8M
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BU of 7b8m by Molmil
Notum-Fragment 193
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8U
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BU of 7b8u by Molmil
Notum-Fragment 201
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8O
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BU of 7b8o by Molmil
Notum-Fragment 199
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8N
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BU of 7b8n by Molmil
Notum-Fragment 197
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8K
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BU of 7b8k by Molmil
Notum-Fragment 173
Descriptor: 1,2-ETHANEDIOL, 1~{H}-benzimidazol-2-ylcyanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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 (1.6 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8J
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BU of 7b8j by Molmil
Notum-Fragment 163
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
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 (1.75 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8Z
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BU of 7b8z by Molmil
Notum-Fragment 277
Descriptor: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8X
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BU of 7b8x by Molmil
Notum-Fragment 210
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
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
7B8L
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BU of 7b8l by Molmil
Notum-Fragment 174
Descriptor: 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8Y
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BU of 7b8y by Molmil
Notum-Fragment 276
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 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:2024-01-31
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
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:2024-01-31
Method:X-RAY DIFFRACTION (1.21 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
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:2024-01-31
Method:X-RAY DIFFRACTION (1.45 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
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
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
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:2024-01-31
Method:X-RAY DIFFRACTION (1.37 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

222415

건을2024-07-10부터공개중

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