7MQU
 
 | | The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations | | 分子名称: | (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, X, Gorfe, A.A, Putkey, J.P. | | 登録日 | 2021-05-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Antipsychotic phenothiazine drugs bind to KRAS in vitro.
J.Biomol.Nmr, 75, 2021
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6V5L
 | | The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 | | 分子名称: | (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. | | 登録日 | 2019-12-04 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
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