5RPC
 
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H3a | | Descriptor: | N-carbamoyl-L-methionine, Proteinase K | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPE
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo40 | | Descriptor: | Proteinase K | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPD
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F12a | | Descriptor: | L-CANAVANINE, Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPF
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo27 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPI
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo26 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPK
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B9a | | Descriptor: | Proteinase K, SULFATE ION, piperidine-1-carboximidamide | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPM
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H5a | | Descriptor: | 4-HYDROXYBENZAMIDE, Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPN
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo64 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPO
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPW
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 | | Descriptor: | Proteinase K | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROR
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a | | Descriptor: | NICOTINAMIDE, Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROS
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP4
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPR
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 | | Descriptor: | Proteinase K, SULFATE ION | | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | Deposit date: | 2020-09-23 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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5STT
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C03 from the F2X-Universal Library | | Descriptor: | 2-(2-methoxyethoxy)benzoic 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 (1.49 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
 | | 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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