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5TIU
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BU of 5tiu by Molmil
Crystal structure of SYK kinase domain with inhibitor
分子名称: 5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide, Tyrosine-protein kinase SYK
著者Ellis, J.M, Altman, M.D, Cash, B, Haidle, A.M, Kubiak, R.L, Maddess, M.L, Yan, Y, Northrup, A.B.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.
ACS Med Chem Lett, 7, 2016
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
分子名称: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
著者Klein, D.J, Sanders, J.M.
登録日2020-01-24
公開日2020-05-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
6VLV
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BU of 6vlv by Molmil
Factor XIa in complex with compound 11
分子名称: 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain
著者Lesburg, C.A.
登録日2020-01-27
公開日2020-05-06
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
6VLU
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BU of 6vlu by Molmil
Factor XIa in complex with compound 7
分子名称: CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
著者Lesburg, C.A, Fradera, X.
登録日2020-01-27
公開日2020-05-06
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020

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件を2024-07-03に公開中

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