4NPV

Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine)

Summary for 4NPV

• Entry DOI: 10.2210/pdb4npv/pdb
• Related: 4NPW
• Descriptor: Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q01064
• Total number of polymer chains: 1
• Total formula weight: 42530.03

Authors

Pandit, J.,Evdomikov, A.,Mansour, M.,Simons, S. (deposition date: 2013-11-22, release date: 2014-07-16, Last modification date: 2024-02-28)

• Primary citation: Humphrey, J.M.,Yang, E.X.,Am Ende, C.W.,Arnold, E.P.,Head, J.L.,Jenkinsonb, S.,Lebel, L.A.,Liras, S.,Pandit, J.,Samas, B.,Vajdos, F.,Simons, S.P.,Evdokimova, A.,Mansour, M.,Menniti, F.S.; Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1; MEDCHEMCOMM, 2014; DOI: 10.1039/C4MD00113C

Experimental method

X-RAY DIFFRACTION (2.4 Å)