5U7R: Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones

PDB ID: 5U7RDownload
MMDB ID: 149378
PDB Deposition Date: 2016/12/12
Updated in MMDB: 2017/12
Experimental Method:
x-ray diffraction
Resolution: 3.33  Å
Source Organism:
Similar Structures:
Biological Unit for 5U7R: dimeric; determined by author and by software (PISA)
Molecular Components in 5U7R
Label Count Molecule
Proteins (2 molecules)
2
Rho-associated Protein Kinase 2
(Gene symbol: ROCK2)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
2
(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-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