5STT
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C03 from the F2X-Universal Library | | 分子名称: | 2-(2-methoxyethoxy)benzoic 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 (1.49 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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6NBW
 | | Ternary Complex of Beta/Gamma-Actin with Profilin and AnCoA-NAA80 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | 著者 | Rebowski, G, Boczkowska, M, Dominguez, R. | | 登録日 | 2018-12-10 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanism of actin N-terminal acetylation.
Sci Adv, 6, 2020
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5ST1
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C03 from the F2X-Universal Library | | 分子名称: | 5-methoxy-2-nitrosophenol, 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 (1.58 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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5WS3
 | | Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA | | 分子名称: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ... | | 著者 | Suno, R, Kimura, K, Nakane, T, Yamashita, K, Wang, J, Fujiwara, T, Yamanaka, Y, Im, D, Tsujimoto, H, Sasanuma, M, Horita, S, Hirokawa, T, Nango, E, Tono, K, Kameshima, T, Hatsui, T, Joti, Y, Yabashi, M, Shimamoto, K, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T. | | 登録日 | 2016-12-05 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.
Structure, 26, 2018
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5ST7
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E03 from the F2X-Universal Library | | 分子名称: | (3R)-3-(benzylamino)oxolane-3-carboxylic 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 (1.46 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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2GRI
 | | NMR Structure of the SARS-CoV non-structural protein nsp3a | | 分子名称: | NSP3 | | 著者 | Serrano, P, Almeida, M.S, Johnson, M.A, Herrmann, T, Saikatendu, K.S, Joseph, J, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | 登録日 | 2006-04-24 | | 公開日 | 2006-12-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
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5STE
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F11 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | | 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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5STJ
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H11 from the F2X-Universal Library | | 分子名称: | 1-(3-methoxy-4-methylphenyl)methanamine, 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 (1.76 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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5STB
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F05 from the F2X-Universal Library | | 分子名称: | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine, 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 (1.55 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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5STO
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A12 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone | | 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 (1.55 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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5STU
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C07 from the F2X-Universal Library | | 分子名称: | 2-chloro-N-(3,5-dimethoxyphenyl)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 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 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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5STZ
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D04 from the F2X-Universal Library | | 分子名称: | 3-(1H-indol-3-yl)propanamide, 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 (1.44 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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5SU3
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D12 from the F2X-Universal Library | | 分子名称: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-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 (1.65 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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5ST3
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C09 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, oxane-4-carboxamide | | 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 (1.47 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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5ST5
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D06 from the F2X-Universal Library | | 分子名称: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-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 (1.61 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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2HG0
 | | Structure of the West Nile Virus envelope glycoprotein | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein | | 著者 | Nybakken, G.E, Nelson, C.A, Chen, B.R, Diamond, M.S, Fremont, D.H. | | 登録日 | 2006-06-26 | | 公開日 | 2006-11-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of the West Nile virus envelope glycoprotein.
J.Virol., 80, 2006
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8DOK
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | 登録日 | 2022-07-13 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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5ST6
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D07 from the F2X-Universal Library | | 分子名称: | (3R)-2,3-dihydro-1-benzofuran-3-amine, 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 (1.62 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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5SU9
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F06 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide, 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 (1.66 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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8PBO
 | | Deep interactome learning for generative drug design | | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | 登録日 | 2023-06-09 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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5SUF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H03 from the F2X-Universal Library | | 分子名称: | 1-benzyl-1H-pyrazole-4-carboxylic 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 (1.51 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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5SUC
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G02 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide, 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 (1.54 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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5STP
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B02 from the F2X-Universal Library | | 分子名称: | (1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine, 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 (1.51 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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5ST8
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E09 from the F2X-Universal Library | | 分子名称: | (3-methoxyphenyl)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 (1.51 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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5STA
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F03 from the F2X-Universal Library | | 分子名称: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine, 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 (1.58 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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