7FJV
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H10 from the F2X-Universal Library | Descriptor: | (3S)-3-amino-4-(2-fluorophenyl)butanoic 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 (1.63 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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7FK0
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A05 from the F2X-Universal Library | Descriptor: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide, 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 (1.69 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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7FKZ
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G08 from the F2X-Universal Library | Descriptor: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide, 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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7FL0
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G11 from the F2X-Universal Library | Descriptor: | 5-cyclopropyl-2H-tetrazole, 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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7FKG
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D05 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide, 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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7FKM
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E03 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate | 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 (1.53 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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7FKB
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C07 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-[(2-methoxyphenyl)methyl]urea, 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 (1.68 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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7FKI
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D08 from the F2X-Universal Library | Descriptor: | (2R)-(3,4-difluorophenyl)(hydroxy)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 (1.47 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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7FKN
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E05 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, P-HYDROXYACETOPHENONE, 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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7FKS
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F01 from the F2X-Universal Library | Descriptor: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-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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7FKY
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G05 from the F2X-Universal Library | Descriptor: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-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 (1.59 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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7FL8
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A03 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl 4-fluoro-3-nitrobenzoate | 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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7FLF
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C06 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate | 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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7FKT
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F02 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide, 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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7FKX
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G02 from the F2X-Universal Library | Descriptor: | 1-(4-chlorophenyl)cyclobutane-1-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 (1.85 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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3T0D
| E.coli (lacZ) beta-galactosidase (S796T) in complex with galactonolactone | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-20 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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7FL6
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H10 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate | 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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7FLK
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E08 from the F2X-Universal Library | Descriptor: | (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one, 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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7FLR
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G01 from the F2X-Universal Library | Descriptor: | 2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-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 (1.63 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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7FLY
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G10 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, piperidine-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 (1.55 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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7FM5
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A02 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-(2-amino-5-chlorophenyl)acetamide, 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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7FLE
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C05 from the F2X-Universal Library | Descriptor: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one, 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 (1.57 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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7FLI
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D09 from the F2X-Universal Library | Descriptor: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic 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: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.75 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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7FLO
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F11 from the F2X-Universal Library | Descriptor: | 2-methoxybenzamide, 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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3KEK
| Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | Descriptor: | CALCIUM ION, Collagenase 3, ZINC ION, ... | Authors: | Shieh, H.-S, Collins, B, Schnute, M.E. | Deposit date: | 2009-10-26 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg.Med.Chem.Lett., 20, 2009
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