4MSC

Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline)

Summary for 4MSC

Entry DOI	10.2210/pdb4msc/pdb
Related	4MRW 4MRZ 4MS0 4MSA 4MSE 4MSH 4MSN
Descriptor	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, ... (4 entities in total)
Functional Keywords	fragment screening, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q9Y233
Total number of polymer chains	2
Total formula weight	79479.58
Authors	Sridhar, V.,Badger, J.,Logan, C.,Chie-Leon, B.,Nienaber, V. (deposition date: 2013-09-18, release date: 2014-05-14, Last modification date: 2023-09-20)
Primary citation	Recht, M.I.,Sridhar, V.,Badger, J.,Bounaud, P.Y.,Logan, C.,Chie-Leon, B.,Nienaber, V.,Torres, F.E. Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19:497-507, 2014 Cited by PubMed: 24375910 DOI: 10.1177/1087057113516493 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.47 Å)

Structure validation