7RT2

Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound

Summary for 7RT2

Entry DOI	10.2210/pdb7rt2/pdb
Related	7RPZ
Descriptor	Isoform 2B of GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (7 entities in total)
Functional Keywords	oncoprotein, g12d, gtpase, kras, oncology, kras4b, mrtx-1133, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	20545.02
Authors	Gunn, R.J.,Thomas, N.C.,Xiaolun, W.,Lawson, J.D.,Marx, M.A. (deposition date: 2021-08-12, release date: 2021-12-22, Last modification date: 2024-03-06)
Primary citation	Wang, X.,Allen, S.,Blake, J.F.,Bowcut, V.,Briere, D.M.,Calinisan, A.,Dahlke, J.R.,Fell, J.B.,Fischer, J.P.,Gunn, R.J.,Hallin, J.,Laguer, J.,Lawson, J.D.,Medwid, J.,Newhouse, B.,Nguyen, P.,O'Leary, J.M.,Olson, P.,Pajk, S.,Rahbaek, L.,Rodriguez, M.,Smith, C.R.,Tang, T.P.,Thomas, N.C.,Vanderpool, D.,Vigers, G.P.,Christensen, J.G.,Marx, M.A. Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65:3123-3133, 2022 Cited by PubMed: 34889605 DOI: 10.1021/acs.jmedchem.1c01688 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.59 Å)

Structure validation