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PDB: 52230 件

7FLM
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F01 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-ethyl-2-methoxybenzene-1-sulfonamide, 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 (1.55 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
7FPB
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C03 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide, 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2024-10-16
実験手法X-RAY DIFFRACTION (2.02 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
7FPH
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09G03 from the F2X-Universal Library
分子名称: (2,3,4-trimethoxyphenyl)methanol, 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 (1.91 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
7VF5
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Human m6A-METTL associated complex (WTAP, VIRMA, and HAKAI)
分子名称: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog
著者Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K.
登録日2021-09-10
公開日2022-09-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of human m6A writer complexes.
Cell Res., 32, 2022
7FNH
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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
7FLU
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G05 from the F2X-Universal Library
分子名称: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine, 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
7FLZ
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G11 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-(2-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 (1.52 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
7FM6
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A03 from the F2X-Universal Library
分子名称: 4-methoxy-2-nitrobenzonitrile, 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
7VN0
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CATPO mutant - T188A
分子名称: ALANINE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
著者Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B.
登録日2021-10-10
公開日2022-09-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
7FMC
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B07 from the F2X-Universal Library
分子名称: 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-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 (1.51 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
7FO6
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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
3BXJ
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BU of 3bxj by Molmil
Crystal Structure of the C2-GAP Fragment of synGAP
分子名称: Ras GTPase-activating protein SynGAP
著者Pena, V, Hothorn, M, Eberth, A, Kaschau, N, Parret, A, Gremer, L, Bonneau, F, Ahmadian, M.R, Scheffzek, K.
登録日2008-01-14
公開日2008-03-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The C2 domain of SynGAP is essential for stimulation of the Rap GTPase reaction.
Embo Rep., 9, 2008
7FOD
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BU of 7fod by Molmil
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
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
分子名称: A1 cistron-splicing factor AAR2, N-[(thiophen-2-yl)methyl]butanamide, 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
7VF2
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BU of 7vf2 by Molmil
Human m6A-METTL associated complex (WTAP, VIRMA, ZC3H13, and HAKAI)
分子名称: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog, Zinc finger CCCH domain-containing protein 13
著者Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K.
登録日2021-09-10
公開日2022-09-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of human m6A writer complexes.
Cell Res., 32, 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
分子名称: (5S)-5-methyl-5-phenylimidazolidine-2,4-dione, 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 (1.53 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
7FK9
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BU of 7fk9 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B12 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide, 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 (1.35 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
7FKF
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BU of 7fkf by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D04 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide, 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2024-10-09
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
7FKL
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E02 from the F2X-Universal Library
分子名称: (2S)-2-phenoxypropanehydrazide, 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
7FOS
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D01 from the F2X-Universal Library
分子名称: (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-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 (1.67 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
7BAR
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BU of 7bar by Molmil
Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked)
分子名称: (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium, cAMP-dependent protein kinase catalytic subunit alpha
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-12-16
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked)
To Be Published
3BZ5
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BU of 3bz5 by Molmil
Functional domain of InlJ from Listeria monocytogenes includes a cysteine ladder
分子名称: CHLORIDE ION, Internalin-J, SULFATE ION
著者Bublitz, M, Holland, C, Sabet, C, Reichelt, J, Cossart, P, Heinz, D.W, Bierne, H, Schubert, W.D.
登録日2008-01-17
公開日2008-06-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and standardized geometric analysis of InlJ, a listerial virulence factor and leucine-rich repeat protein with a novel cysteine ladder.
J.Mol.Biol., 378, 2008
7FP9
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BU of 7fp9 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09A12 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate
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 (1.9 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
3BM4
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BU of 3bm4 by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr
分子名称: ADP-sugar pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MAGNESIUM ION
著者Zha, M, Guo, Q, Zhang, Y, Zhong, C, Ou, Y, Ding, J.
登録日2007-12-12
公開日2008-05-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Mechanism of ADP-Ribose Hydrolysis By Human NUDT5 From Structural and Kinetic Studies
J.Mol.Biol., 379, 2008
7FKQ
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E09 from the F2X-Universal Library
分子名称: 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole, 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 (1.68 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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件を2024-11-06に公開中

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