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PDB: 648 results

7FP2
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BU of 7fp2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F10 from the F2X-Universal Library
Descriptor: 2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-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 (1.64 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
7FP6
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BU of 7fp6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 from the F2X-Universal Library
Descriptor: (3R)-3-amino-3-phenylpropanenitrile, 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
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:2024-05-22
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
7FOM
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BU of 7fom by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, N-(2-aminoethyl)-2-cyclohexylacetamide, ...
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
7FPB
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BU of 7fpb by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C03 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide, 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 (2.02 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FOL
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BU of 7fol by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C01 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-[(thiophen-2-yl)methyl]butanamide, 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
7FPI
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BU of 7fpi by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10C11 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N,N'-dicyclopropyl-N-(prop-2-en-1-yl)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 (1.63 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FOY
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BU of 7foy by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E10 from the F2X-Universal Library
Descriptor: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-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 (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FJW
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BU of 7fjw by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H12 from the F2X-Universal Library
Descriptor: 6-[(pyridin-2-yl)sulfanyl]pyridin-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 (1.63 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FOZ
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BU of 7foz by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F01 from the F2X-Universal Library
Descriptor: (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-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: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
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: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
7FPD
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BU of 7fpd by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E01 from the F2X-Universal Library
Descriptor: 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-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 (1.61 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FPF
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BU of 7fpf by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E08 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-(3-hydroxybenzoyl)-N-methylglycinate
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
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:2024-05-22
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
7FK1
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BU of 7fk1 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A06 from the F2X-Universal Library
Descriptor: (3R)-3-(4-chlorobenzene-1-sulfonyl)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 (1.76 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
7FK4
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BU of 7fk4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A11 from the F2X-Universal Library
Descriptor: (4-methylpiperazin-1-yl)(5-methylthiophen-3-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 (1.59 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: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
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
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: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
7FKE
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BU of 7fke by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C12 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-ethyl-1-(4-fluorophenyl)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 (1.48 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: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
7FKT
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BU of 7fkt by Molmil
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
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: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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PDB entries from 2024-05-29

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