5R0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r0k by Molmil](/molmil-images/mine/5r0k) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide | 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 (1.8 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qyw by Molmil](/molmil-images/mine/5qyw) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 12 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qz1 by Molmil](/molmil-images/mine/5qz1) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qyz by Molmil](/molmil-images/mine/5qyz) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 15 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
8GQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gqc by Molmil](/molmil-images/mine/8gqc) | Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution) | 分子名称: | Papain-like protease nsp3 | 著者 | Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S. | 登録日 | 2022-08-30 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target. Nat Commun, 14, 2023
|
|
5QZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzl by Molmil](/molmil-images/mine/5qzl) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 36 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qyy by Molmil](/molmil-images/mine/5qyy) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 14 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5KT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kt4 by Molmil](/molmil-images/mine/5kt4) | Teranry complex of human DNA polymerase iota R96G inserting dCMPNPP opposite template G in the presence of Mg2+ | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | 著者 | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | 登録日 | 2016-07-11 | 公開日 | 2016-08-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
|
|
5R02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r02 by Molmil](/molmil-images/mine/5r02) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 53 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qz4 by Molmil](/molmil-images/mine/5qz4) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 19 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r0m by Molmil](/molmil-images/mine/5r0m) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H12, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide | 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
|
|
5QZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qz2 by Molmil](/molmil-images/mine/5qz2) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qz3 by Molmil](/molmil-images/mine/5qz3) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 18 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzn by Molmil](/molmil-images/mine/5qzn) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 38 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzh by Molmil](/molmil-images/mine/5qzh) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 32 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r03 by Molmil](/molmil-images/mine/5r03) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 54 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzw by Molmil](/molmil-images/mine/5qzw) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 47 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r0i by Molmil](/molmil-images/mine/5r0i) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E12, DMSO-free | 分子名称: | 6-azanyl-3-methyl-1,3-benzoxazol-2-one, 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
|
|
5R0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r0d by Molmil](/molmil-images/mine/5r0d) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine, 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 (1.27 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
6TN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tn9 by Molmil](/molmil-images/mine/6tn9) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | 分子名称: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | 著者 | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
|
|
5QZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qz8 by Molmil](/molmil-images/mine/5qz8) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 23 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5QZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzp by Molmil](/molmil-images/mine/5qzp) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 40 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
6TND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tnd by Molmil](/molmil-images/mine/6tnd) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
|
|
5QZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qzm by Molmil](/molmil-images/mine/5qzm) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 37 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r01 by Molmil](/molmil-images/mine/5r01) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 52 | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|