5SU3
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D12 from the F2X-Universal Library | | 分子名称: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-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 | 2022-11-30 | | 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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5SUD
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G05 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-[(2R)-2-cyanopropyl]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 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.48 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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5STT
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C03 from the F2X-Universal Library | | 分子名称: | 2-(2-methoxyethoxy)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 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.49 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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5SU8
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F01 from the F2X-Universal Library | | 分子名称: | (2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol, 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 (1.79 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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5R14
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 19, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1I
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 33, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-03-10 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R20
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E06, DMSO-free | | 分子名称: | (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol, Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.009 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2G
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 03, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (0.998 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2X
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 21, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.129 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3E
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 38, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.008 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3V
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 55, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.118 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R10
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 14, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1H
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 32, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-03-10 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R22
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free | | 分子名称: | Endothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.098 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2I
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 05, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.008 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2Z
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 23, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (0.969 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3F
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 39, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.187 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3U
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 54, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.088 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0U
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 08, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1B
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 26, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2O
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 12, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (0.969 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R36
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 30, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.008 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3M
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 46, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R15
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 20, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1G
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 31, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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