8OHH
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![BU of 8ohh by Molmil](/molmil-images/mine/8ohh) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-phenyl-N'-propan-2-ylurea | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 To Be Published
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8OGS
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![BU of 8ogs by Molmil](/molmil-images/mine/8ogs) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 To Be Published
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8OHG
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![BU of 8ohg by Molmil](/molmil-images/mine/8ohg) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 | Descriptor: | 4-pyridin-2-ylphenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F09 To Be Published
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8OHE
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![BU of 8ohe by Molmil](/molmil-images/mine/8ohe) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F03 To Be Published
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8OHK
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![BU of 8ohk by Molmil](/molmil-images/mine/8ohk) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H01 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H01 To Be Published
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8OGU
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![BU of 8ogu by Molmil](/molmil-images/mine/8ogu) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 | Descriptor: | 3,4-dihydro-1~{H}-quinolin-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 To Be Published
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8OGT
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![BU of 8ogt by Molmil](/molmil-images/mine/8ogt) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 To Be Published
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8OHF
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![BU of 8ohf by Molmil](/molmil-images/mine/8ohf) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 To Be Published
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8OGW
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![BU of 8ogw by Molmil](/molmil-images/mine/8ogw) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 To Be Published
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8OHO
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![BU of 8oho by Molmil](/molmil-images/mine/8oho) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 To Be Published
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3S1T
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![BU of 3s1t by Molmil](/molmil-images/mine/3s1t) | |
2O0T
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![BU of 2o0t by Molmil](/molmil-images/mine/2o0t) | |
2O0R
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![BU of 2o0r by Molmil](/molmil-images/mine/2o0r) | The three-dimensional structure of N-Succinyldiaminopimelate aminotransferase from Mycobacterium tuberculosis | Descriptor: | CHLORIDE ION, GLYCEROL, Rv0858c (N-Succinyldiaminopimelate aminotransferase), ... | Authors: | Weyand, S, Kefala, G, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2006-11-28 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Three-dimensional Structure of N-Succinyldiaminopimelate Aminotransferase from Mycobacterium tuberculosis J.Mol.Biol., 367, 2007
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5SU5
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![BU of 5su5 by Molmil](/molmil-images/mine/5su5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E05 from the F2X-Universal Library | Descriptor: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5STN
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![BU of 5stn by Molmil](/molmil-images/mine/5stn) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A11 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5SU9
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![BU of 5su9 by Molmil](/molmil-images/mine/5su9) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F06 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5SUF
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![BU of 5suf by Molmil](/molmil-images/mine/5suf) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H03 from the F2X-Universal Library | Descriptor: | 1-benzyl-1H-pyrazole-4-carboxylic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5SUC
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![BU of 5suc by Molmil](/molmil-images/mine/5suc) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G02 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5STB
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![BU of 5stb by Molmil](/molmil-images/mine/5stb) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F05 from the F2X-Universal Library | Descriptor: | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5ST3
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![BU of 5st3 by Molmil](/molmil-images/mine/5st3) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C09 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, oxane-4-carboxamide | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5ST5
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![BU of 5st5 by Molmil](/molmil-images/mine/5st5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D06 from the F2X-Universal Library | Descriptor: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5ST6
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![BU of 5st6 by Molmil](/molmil-images/mine/5st6) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D07 from the F2X-Universal Library | Descriptor: | (3R)-2,3-dihydro-1-benzofuran-3-amine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5ST8
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![BU of 5st8 by Molmil](/molmil-images/mine/5st8) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E09 from the F2X-Universal Library | Descriptor: | (3-methoxyphenyl)acetic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5STA
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![BU of 5sta by Molmil](/molmil-images/mine/5sta) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F03 from the F2X-Universal Library | Descriptor: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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5STC
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![BU of 5stc by Molmil](/molmil-images/mine/5stc) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F09 from the F2X-Universal Library | Descriptor: | 1-(2-chloroethyl)-1H-imidazole, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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