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5SM0
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BU of 5sm0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176
Descriptor: (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SM5
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BU of 5sm5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434807
Descriptor: 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SMD
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BU of 5smd by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z274575916
Descriptor: 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SCC
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BU of 5scc by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 57
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2021-12-01
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCL
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BU of 5scl by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 1
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2021-12-01
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SKX
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BU of 5skx by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z126932614
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:PanDDA analysis group deposition
To Be Published
5BK2
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BU of 5bk2 by Molmil
Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody
Descriptor: CHLORIDE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
Authors:Mukherjee, S, Kossiakoff, A.A.
Deposit date:2017-09-12
Release date:2018-01-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered synthetic antibodies as probes to quantify the energetic contributions of ligand binding to conformational changes in proteins.
J. Biol. Chem., 293, 2018
5SL6
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BU of 5sl6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z256709556
Descriptor: 3-methylthiophene-2-carboxylic acid, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLB
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BU of 5slb by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860
Descriptor: 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLK
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BU of 5slk by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680
Descriptor: 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLW
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BU of 5slw by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1310876699
Descriptor: 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SM8
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BU of 5sm8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2027158783
Descriptor: N-(2,1,3-benzoxadiazol-4-yl)acetamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLS
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BU of 5sls by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1373445602
Descriptor: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SMB
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BU of 5smb by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z419995480
Descriptor: 1-(morpholin-4-yl)-4-phenylbutan-1-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SCD
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BU of 5scd by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 58
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2021-12-01
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5BOU
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BU of 5bou by Molmil
Yeast 20S proteasome in complex with a beta1 / beta2 specific non-peptidic sulfonamide Ligand
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide, ...
Authors:Beck, P, Groll, M.
Deposit date:2015-05-27
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a beta 1/ beta 2-Specific Sulfonamide Proteasome Ligand by Crystallographic Screening.
Angew.Chem.Int.Ed.Engl., 54, 2015
5SL1
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BU of 5sl1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153
Descriptor: N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.383 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SL3
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BU of 5sl3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z223688272
Descriptor: 2-[acetyl(methyl)amino]benzoic acid, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLH
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BU of 5slh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z65532537
Descriptor: (2S)-2-(2-fluorophenoxy)propanoic acid, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLG
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BU of 5slg by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357
Descriptor: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SM1
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BU of 5sm1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z68277692
Descriptor: N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SLT
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BU of 5slt by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1816233707
Descriptor: 6-(methylcarbamoyl)pyridine-2-carboxylic acid, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SMG
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BU of 5smg by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2092370954
Descriptor: 3-amino-N-ethyl-N-methylbenzamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SM7
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BU of 5sm7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1247413608
Descriptor: 1-(methanesulfonyl)piperidin-4-ol, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SKZ
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BU of 5skz by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57258487
Descriptor: N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition
To Be Published

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