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7FK5
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BU of 7fk5 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A12 from the F2X-Universal Library
Descriptor: (5S)-5-methyl-5-phenylimidazolidine-2,4-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 (1.53 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FLT
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BU of 7flt by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G04 from the F2X-Universal Library
Descriptor: (1S)-1-(3-fluoro-4-methoxyphenyl)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:2022-11-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKD
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BU of 7fkd by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C11 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-(2,6-dimethylphenyl)methanesulfonamide, 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 (1.45 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FLX
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BU of 7flx by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G08 from the F2X-Universal Library
Descriptor: 2-chlorobenzohydrazide, 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
7FKH
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BU of 7fkh by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D06 from the F2X-Universal Library
Descriptor: (3-aminophenyl)(morpholin-4-yl)methanone, 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 (1.44 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKS
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BU of 7fks by Molmil
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:2022-11-30
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
7FMA
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BU of 7fma by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B04 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-[2-(aminomethyl)phenyl]methanesulfonamide, 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 (1.41 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKU
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BU of 7fku by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide, 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 (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FMG
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BU of 7fmg by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide, 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 (1.71 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FL6
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BU of 7fl6 by Molmil
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:2022-11-30
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
7FMP
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BU of 7fmp by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E01 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N~2~-phenylglycinamide, 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 (1.72 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FL8
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BU of 7fl8 by Molmil
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:2022-11-30
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
7FN2
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BU of 7fn2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G08 from the F2X-Universal Library
Descriptor: 1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine, 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 (1.62 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FLK
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BU of 7flk by Molmil
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:2022-11-30
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
7FN4
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BU of 7fn4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G11 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl pyridin-3-ylcarbamate
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 (1.72 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FLM
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BU of 7flm by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F01 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-ethyl-2-methoxybenzene-1-sulfonamide, 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 (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FM1
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BU of 7fm1 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H02 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
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 (1.5 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FNK
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BU of 7fnk by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C12 from the F2X-Universal Library
Descriptor: 4-cyclopentylcarbonylpiperazin-2-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:2022-11-30
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
7FM2
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BU of 7fm2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H04 from the F2X-Universal Library
Descriptor: (2R)-1-(1H-indol-3-yl)propan-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:2022-11-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FNL
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BU of 7fnl by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D01 from the F2X-Universal Library
Descriptor: 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-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:2022-11-30
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FMH
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BU of 7fmh by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C10 from the F2X-Universal Library
Descriptor: (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide, 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 (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FO0
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BU of 7fo0 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G02 from the F2X-Universal Library
Descriptor: 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide, 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 (1.83 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FMF
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BU of 7fmf by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C06 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine, 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 (1.65 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FO2
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BU of 7fo2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G04 from the F2X-Universal Library
Descriptor: 3-[(3-bromophenyl)methanesulfonyl]propanoic acid, A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, ...
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 (2.01 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FMU
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BU of 7fmu by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E11 from the F2X-Universal Library
Descriptor: (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-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: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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