7MQU
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![BU of 7mqu by Molmil](/molmil-images/mine/7mqu) | The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations | Descriptor: | (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, X, Gorfe, A.A, Putkey, J.P. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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6V5L
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![BU of 6v5l by Molmil](/molmil-images/mine/6v5l) | The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 | Descriptor: | (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. | Deposit date: | 2019-12-04 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 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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7LGI
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![BU of 7lgi by Molmil](/molmil-images/mine/7lgi) | The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, X, Gorfe, A.A, Putkey, J.A. | Deposit date: | 2021-01-20 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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