5J9F

Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)

Summary for 5J9F

• Entry DOI: 10.2210/pdb5j9f/pdb
• Related: 5IZQ
• Descriptor: Trifunctional purine biosynthetic protein adenosine-3, GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, ... (4 entities in total)
• Functional Keywords: gar transformylase, antifolate, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 23479.67

Authors

Wong, J.,Deis, S.M.,Dann III, C.E. (deposition date: 2016-04-09, release date: 2016-08-10, Last modification date: 2023-09-27)

• Primary citation: Golani, L.K.,Wallace-Povirk, A.,Deis, S.M.,Wong, J.,Ke, J.,Gu, X.,Raghavan, S.,Wilson, M.R.,Li, X.,Polin, L.,de Waal, P.W.,White, K.,Kushner, J.,O'Connor, C.,Hou, Z.,Xu, H.E.,Melcher, K.,Dann, C.E.,Matherly, L.H.,Gangjee, A.; Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.; J.Med.Chem., 59:7856-7876, 2016; PubMed: 27458733; DOI: 10.1021/acs.jmedchem.6b00594

Experimental method

X-RAY DIFFRACTION (2.1 Å)