7KUM
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7KUP
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6QIS
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![BU of 6qis by Molmil](/molmil-images/mine/6qis) | Crystal structure of CAG repeats with synthetic CMBL3a compound (model II) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), SULFATE ION | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6QIV
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![BU of 6qiv by Molmil](/molmil-images/mine/6qiv) | Crystal structure of seleno-derivative CAG repeats with synthetic CMBL4 compound | Descriptor: | CMBL4, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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1J26
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![BU of 1j26 by Molmil](/molmil-images/mine/1j26) | Solution structure of a putative peptidyl-tRNA hydrolase domain in a mouse hypothetical protein | Descriptor: | immature colon carcinoma transcript 1 | Authors: | Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-12-25 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the catalytic domain of the mitochondrial protein ICT1 that is essential for cell vitality J.Mol.Biol., 2010
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2PXH
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![BU of 2pxh by Molmil](/molmil-images/mine/2pxh) | Crystal structure of a bipyridylalanyl-tRNA synthetase | Descriptor: | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE, Tyrosyl-tRNA synthetase | Authors: | Liu, W, Xie, J, Schultz, P.G. | Deposit date: | 2007-05-14 | Release date: | 2008-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A genetically encoded bidentate, metal-binding amino acid. Angew.Chem.Int.Ed.Engl., 46, 2007
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5G4T
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5QY3
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![BU of 5qy3 by Molmil](/molmil-images/mine/5qy3) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a | Descriptor: | 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY2
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![BU of 5qy2 by Molmil](/molmil-images/mine/5qy2) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b | Descriptor: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY4
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![BU of 5qy4 by Molmil](/molmil-images/mine/5qy4) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY6
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![BU of 5qy6 by Molmil](/molmil-images/mine/5qy6) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a | Descriptor: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY5
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![BU of 5qy5 by Molmil](/molmil-images/mine/5qy5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02a | Descriptor: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY1
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![BU of 5qy1 by Molmil](/molmil-images/mine/5qy1) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07a | Descriptor: | (2-aminopyridin-3-yl)methanol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY7
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![BU of 5qy7 by Molmil](/molmil-images/mine/5qy7) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08a | Descriptor: | (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYA
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![BU of 5qya by Molmil](/molmil-images/mine/5qya) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D02a | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY9
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![BU of 5qy9 by Molmil](/molmil-images/mine/5qy9) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11b | Descriptor: | A1 cistron-splicing factor AAR2, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY8
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![BU of 5qy8 by Molmil](/molmil-images/mine/5qy8) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C10a | Descriptor: | 1,3-benzodioxole-5-carbothioamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYC
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![BU of 5qyc by Molmil](/molmil-images/mine/5qyc) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07a | Descriptor: | 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYD
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![BU of 5qyd by Molmil](/molmil-images/mine/5qyd) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05a | Descriptor: | 2-(2-methylphenyl)acetamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYE
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![BU of 5qye by Molmil](/molmil-images/mine/5qye) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E12a | Descriptor: | (2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYF
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![BU of 5qyf by Molmil](/molmil-images/mine/5qyf) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F02a | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYG
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![BU of 5qyg by Molmil](/molmil-images/mine/5qyg) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F08a | Descriptor: | 4-[(methylamino)methyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYL
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![BU of 5qyl by Molmil](/molmil-images/mine/5qyl) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 01 | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYM
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![BU of 5qym by Molmil](/molmil-images/mine/5qym) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 02 | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYK
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![BU of 5qyk by Molmil](/molmil-images/mine/5qyk) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H12a | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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