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6V5L

The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22

Summary for 6V5L
Entry DOI10.2210/pdb6v5l/pdb
NMR InformationBMRB: 30694
DescriptorGTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (4 entities in total)
Functional Keywordskras, allosteric inhibitor, drug discovery, haddock, transferase-transferase inhibitor complex, signaling protein-inhibitor complex, signaling protein/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight20047.60
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 citationGupta, 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: 30903639
DOI: 10.1111/cbdd
PDB entries with the same primary citation
Experimental method
SOLUTION NMR
Structure validation

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건을2024-03-27부터공개중

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