3ML8: Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design

PDB ID: 3ML8Download
MMDB ID: 82505
PDB Deposition Date: 2010/4/16
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.7  Å
Source Organism:
Similar Structures:
Biological Unit for 3ML8: monomeric; determined by author and by software (PISA)
Molecular Components in 3ML8
Label Count Molecule
Protein (1 molecule)
1
Phosphatidylinositol-4,5-bisphosphate 3-kinase Catalytic Subunit Gamma Isoform
(Gene symbol: PIK3CG)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303