5OCT

Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.

Summary for 5OCT

Entry DOI	10.2210/pdb5oct/pdb
Descriptor	GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine, ... (7 entities in total)
Functional Keywords	domain antibodies, small molecules, drug fragment screening, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	6
Total formula weight	134248.95
Authors	Cruz-Migoni, A.,Ehebauer, M.T.,Phillips, S.E.V.,Quevedo, C.E.,Rabbitts, T.H. (deposition date: 2017-07-03, release date: 2018-08-22, Last modification date: 2024-01-17)
Primary citation	Quevedo, C.E.,Cruz-Migoni, A.,Bery, N.,Miller, A.,Tanaka, T.,Petch, D.,Bataille, C.J.R.,Lee, L.Y.W.,Fallon, P.S.,Tulmin, H.,Ehebauer, M.T.,Fernandez-Fuentes, N.,Russell, A.J.,Carr, S.B.,Phillips, S.E.V.,Rabbitts, T.H. Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9:3169-3169, 2018 Cited by PubMed: 30093669 DOI: 10.1038/s41467-018-05707-2 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.07 Å)

Structure validation