7FOG
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B02 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide, N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide, ... | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6S5Z
 | | Structure of Rib R28N from Streptococcus pyogenes | | 分子名称: | SODIUM ION, Surface protein R28 | | 著者 | Whelan, F, Griffiths, S.C, Whittingham, J.L, Bateman, A, Potts, J.R. | | 登録日 | 2019-07-02 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7FO0
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G02 from the F2X-Universal Library | | 分子名称: | 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6S63
 | | Dark-adapted structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A. | | 登録日 | 2019-07-02 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts.
Acta Crystallogr D Struct Biol, 78, 2022
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7FOM
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, N-(2-aminoethyl)-2-cyclohexylacetamide, ... | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6S3Y
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7FOA
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H07 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-cyclopropyl-2-(3-fluorophenoxy)acetamide, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOW
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E04 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FP4
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G02 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl N-methyl-N-(thiophene-3-carbonyl)glycinate | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6S4K
 | | The crystal structure of glycogen phosphorylase in complex with 12 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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7FOH
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B05 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-[2-(dimethylamino)ethyl]-4-fluorobenzamide, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FPA
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C01 from the F2X-Universal Library | | 分子名称: | 2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOO
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C06 from the F2X-Universal Library | | 分子名称: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FPG
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09F06 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, [4-(difluoromethoxy)phenyl]methanol | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNH
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C05 from the F2X-Universal Library | | 分子名称: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FJY
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A02 from the F2X-Universal Library | | 分子名称: | 1-[(3-aminophenyl)methyl]piperidin-4-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FK4
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A11 from the F2X-Universal Library | | 分子名称: | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FO6
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H04 from the F2X-Universal Library | | 分子名称: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6T9X
 | | Crystal structure of formate dehydrogenase FDH2 D222Q/Q223R mutant enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and Azide. | | 分子名称: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | 登録日 | 2019-10-29 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
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7FK8
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B07 from the F2X-Universal Library | | 分子名称: | 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOD
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A07 from the F2X-Universal Library | | 分子名称: | (1-methyl-1H-pyrrol-2-yl)acetic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6TBC
 | | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | | 分子名称: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Fage, C.D, Masschelein, J. | | 登録日 | 2019-11-01 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7FKE
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C12 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-ethyl-1-(4-fluorophenyl)methanesulfonamide, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FKK
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D12 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-methoxy-2-(2-methylphenyl)acetamide, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6TBK
 | | Structure of a beta galactosidase with inhibitor | | 分子名称: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | | 著者 | Offen, W, Davies, G. | | 登録日 | 2019-11-01 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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