6V5L
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
Summary for 6V5L
Entry DOI | 10.2210/pdb6v5l/pdb |
NMR Information | BMRB: 30694 |
Descriptor | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (4 entities in total) |
Functional Keywords | kras, allosteric inhibitor, drug discovery, haddock, transferase-transferase inhibitor complex, signaling protein-inhibitor complex, signaling protein/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 20047.60 |
Authors | Wang, X.,Gupta, A.K.,Prakash, P.,Putkey, J.P.,Gorfe, A.A. (deposition date: 2019-12-04, release date: 2019-12-18, Last modification date: 2023-06-14) |
Primary citation | Gupta, A.K.,Wang, X.,Pagba, C.V.,Prakash, P.,Putkey, J.P.,Gorfe, A.A. Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate Chemical Biology & Drug Design, 94:1441-1456, 2019 Cited by PubMed: 30903639DOI: 10.1111/cbdd PDB entries with the same primary citation |
Experimental method | SOLUTION NMR |
Structure validation
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