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7FPE
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BU of 7fpe by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N,N,4-triethyl-1,2,3-thiadiazole-5-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: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
7FMV
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BU of 7fmv by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E12 from the F2X-Universal Library
Descriptor: (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-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 (1.61 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FJX
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BU of 7fjx by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A01 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-cyclohexyl-2-(1H-pyrazol-1-yl)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 (1.59 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FK2
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BU of 7fk2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A07 from the F2X-Universal Library
Descriptor: 4-(thiophene-2-sulfonyl)morpholine, 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 (1.35 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: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
7FK7
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BU of 7fk7 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B04 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-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:2024-05-22
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
7FN7
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BU of 7fn7 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H08 from the F2X-Universal Library
Descriptor: 6-chloro-N-(3-methoxypropyl)pyrimidin-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 (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FKA
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BU of 7fka by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C04 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-(2-chlorobenzoyl)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 (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FNB
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BU of 7fnb by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A12 from the F2X-Universal Library
Descriptor: 2-cyano-N-methyl-N-phenylacetamide, 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
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: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
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:2024-05-22
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
7FL1
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BU of 7fl1 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-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: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
7FLB
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BU of 7flb by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A10 from the F2X-Universal Library
Descriptor: 4-(difluoromethyl)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 (1.57 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
7FLH
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BU of 7flh by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl 4-bromo-5-methyl-1H-pyrazole-3-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:2024-05-22
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
7FN0
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BU of 7fn0 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G05 from the F2X-Universal Library
Descriptor: 4-{[(propan-2-yl)oxy]methyl}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 (1.59 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FLN
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BU of 7fln by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F09 from the F2X-Universal Library
Descriptor: (5R)-2,7-diazaspiro[4.5]dec-1-en-3-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
7FN5
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BU of 7fn5 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H04 from the F2X-Universal Library
Descriptor: 5-bromo-N-propylthiophene-3-carboxamide, 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
7FLV
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BU of 7flv by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G05 from the F2X-Universal Library
Descriptor: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine, 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
7FNG
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BU of 7fng by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B12 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE, 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 (1.6 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FM3
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BU of 7fm3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H09 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl 4,5,6,7-tetrahydro-2H-indazole-3-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:2024-05-22
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
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:2024-05-22
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
7FNM
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BU of 7fnm by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 from the F2X-Universal Library
Descriptor: 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide, 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 (1.72 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:2024-05-22
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
7FNU
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BU of 7fnu by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]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 (1.54 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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PDB entries from 2024-06-26

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