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8AXI
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BU of 8axi by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
分子名称: 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ...
著者Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
登録日2022-08-31
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AWI
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BU of 8awi by Molmil
Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
分子名称: SODIUM ION, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2022-08-29
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Z1U
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BU of 7z1u by Molmil
Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2
分子名称: Non-symbiotic hemoglobin class 1, PROTOPORPHYRIN IX CONTAINING FE
著者Nyblom, M, Christensen, S, Leiva Eriksson, N, Bulow, L.
登録日2022-02-25
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2.
Antioxidants, 11, 2022
7ZER
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BU of 7zer by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP
分子名称: 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Putkaradze, N, Fredslund, F, Welner, D.H.
登録日2022-03-31
公開日2022-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZF0
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BU of 7zf0 by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile
分子名称: (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ...
著者Putkaradze, N, Fredslund, F, Welner, D.H.
登録日2022-03-31
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZA4
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BU of 7za4 by Molmil
GSTF sh155 mutant
分子名称: Glutathione transferase, SODIUM ION
著者Papageorgiou, A.C.
登録日2022-03-22
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
8AVI
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BU of 8avi by Molmil
Crystal structure of IsdG from Bacillus cereus in complex with heme
分子名称: 1,3-PROPANDIOL, 1,4-BUTANEDIOL, Heme-degrading monooxygenase, ...
著者Andersen, H.K, Hammerstad, M, Hersleth, H.-P.
登録日2022-08-26
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction.
Antioxidants, 12, 2023
8AVH
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BU of 8avh by Molmil
Crystal structure of IsdG from Bacillus cereus
分子名称: 1,3-PROPANDIOL, Heme-degrading monooxygenase
著者Andersen, H.K, Hammerstad, M, Hersleth, H.-P.
登録日2022-08-26
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction.
Antioxidants, 12, 2023
7FKO
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BU of 7fko by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E07 from the F2X-Universal Library
分子名称: 2-[(2-fluorophenyl)sulfanyl]acetohydrazide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FP8
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BU of 7fp8 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08H12 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FP3
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BU of 7fp3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F11 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FK3
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BU of 7fk3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A09 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-(benzenesulfonyl)-N-methylglycinate
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FJW
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BU of 7fjw by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H12 from the F2X-Universal Library
分子名称: 6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FL4
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BU of 7fl4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H06 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FK1
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BU of 7fk1 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A06 from the F2X-Universal Library
分子名称: (3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FK6
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BU of 7fk6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B02 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FL3
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BU of 7fl3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H06 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKD
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BU of 7fkd by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C11 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-(2,6-dimethylphenyl)methanesulfonamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FM4
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BU of 7fm4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A01 from the F2X-Universal Library
分子名称: (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKJ
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BU of 7fkj by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D11 from the F2X-Universal Library
分子名称: 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FM8
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BU of 7fm8 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A09 from the F2X-Universal Library
分子名称: (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKP
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BU of 7fkp by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E08 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FO9
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H07 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-cyclopropyl-2-(3-fluorophenoxy)acetamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKU
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BU of 7fku by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F03 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FJV
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H10 from the F2X-Universal Library
分子名称: (3S)-3-amino-4-(2-fluorophenyl)butanoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022

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件を2024-08-14に公開中

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