7FJX
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A01 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-cyclohexyl-2-(1H-pyrazol-1-yl)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 (1.59 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
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7FK2
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A07 from the F2X-Universal Library | 分子名称: | 4-(thiophene-2-sulfonyl)morpholine, 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 (1.35 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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7FN7
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H08 from the F2X-Universal Library | 分子名称: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-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 (1.51 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
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7FK7
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B04 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide, 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 (1.72 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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7FNB
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A12 from the F2X-Universal Library | 分子名称: | 2-cyano-N-methyl-N-phenylacetamide, 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
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7FKA
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C04 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-(2-chlorobenzoyl)glycinate | 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
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7FNL
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D01 from the F2X-Universal Library | 分子名称: | 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-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 (1.67 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
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7FKH
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D06 from the F2X-Universal Library | 分子名称: | (3-aminophenyl)(morpholin-4-yl)methanone, 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 (1.44 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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7FL1
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H03 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide, 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
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7FMU
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E11 from the F2X-Universal Library | 分子名称: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-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 | 2022-11-30 | 実験手法 | X-RAY DIFFRACTION (1.81 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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7FLB
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A10 from the F2X-Universal Library | 分子名称: | 4-(difluoromethyl)benzoic 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 (1.57 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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7FN0
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G05 from the F2X-Universal Library | 分子名称: | 4-{[(propan-2-yl)oxy]methyl}benzoic 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 (1.59 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
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5Z9J
| Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE | 著者 | Lu, M, Lin, L, Zhang, C, Chen, Y. | 登録日 | 2018-02-03 | 公開日 | 2019-02-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases. Chembiochem, 2020
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7FLH
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D03 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl 4-bromo-5-methyl-1H-pyrazole-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 (1.67 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
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7FLN
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F09 from the F2X-Universal Library | 分子名称: | (5R)-2,7-diazaspiro[4.5]dec-1-en-3-one, 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 (1.57 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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7FN5
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H04 from the F2X-Universal Library | 分子名称: | 5-bromo-N-propylthiophene-3-carboxamide, 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 (1.69 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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7FLV
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G05 from the F2X-Universal Library | 分子名称: | (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine, 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
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7FNG
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B12 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE, 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 (1.6 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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7FM3
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H09 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl 4,5,6,7-tetrahydro-2H-indazole-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 (1.65 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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7FMA
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B04 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-[2-(aminomethyl)phenyl]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 (1.41 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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7FNM
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 from the F2X-Universal Library | 分子名称: | 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide, 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 (1.72 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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7FMG
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide, 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 (1.71 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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6QNS
| Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors | 分子名称: | Botulinum neurotoxin type B, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Synaptotagmin-1 | 著者 | Masuyer, G, Yin, L, Zhang, S, Miyashita, S.I, Dong, M, Stenmark, P. | 登録日 | 2019-02-12 | 公開日 | 2020-02-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy. Plos Biol., 18, 2020
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7FMM
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D09 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N-methoxy-2-(2-methoxy-4-methylphenoxy)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 (1.69 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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7FNU
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F03 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate | 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 (1.54 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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