12FF

KRAS G12V in complex with GDP and a macrocyclic inhibitor (Compound 20).

This is a non-PDB format compatible entry.

Summary for 12FF

• Entry DOI: 10.2210/pdb12ff/pdb
• Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, (5S,9R,21bP)-25-fluoro-3-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-9-methyl-7,8,9,10,14,15,16,19-octahydro-13H-5,9-methano-22,1-(metheno)pyrimido[4',5':9,10][1,3,8]oxadiazacyclononadecino[14,15-e]indazol-11(6H)-one, ... (6 entities in total)
• Functional Keywords: kras, gtp, gdp, g12v, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 82420.91

Authors

DiDonato, M.,Spraggon, G. (deposition date: 2026-04-01, release date: 2026-09-09)

• Primary citation: Phillips, D.P.,Alper, P.B.,Borkin, D.,Han, D.,Kochanek, S.E.,Gurjar, J.,Mathison, C.J.N.,Nelson, J.M.,Pei, W.,Nguyen, B.N.,Hoffman, T.,Okram, B.,Nguyen, T.N.,Jiang, S.,Masick, B.T.,Wang, Z.,Cho, C.Y.,Yin, H.,Chen, Y.,Juarez, J.,Jia, Y.,Zhou, V.,Liu, G.,Wright, C.,Nguyen, T.,Knee, D.A.,Liu, Q.,Liu, J.,Li, J.,Virata, C.,de Oliveira, C.,DiDonato, M.,Bursulaya, B.,Vidal-Biggart, A.,Jones, D.H.,Witmer, D.,Chu, C.,Jin, H.,Herath, A.,Richmond, W.,Groessl, T.,Shapiro, M.,Effenberger, K.,Arroyo, K.,Bretz, A.,Honda, A.,Gordon, W.P.,Molteni, V.,Haling, J.R.; Lead Optimization of Multimutant KRAS Switch-II Pocket Macrocyclic Inhibitors via Isosteric Replacement to Improve ADME and Oral Exposure; J.Med.Chem., 2026; DOI: 10.1021/acs.jmedchem.6c01454

Experimental method

X-RAY DIFFRACTION (2.1 Å)