8SYC

Crystal structure of PDE3B in complex with GSK4394835A

Summary for 8SYC

• Entry DOI: 10.2210/pdb8syc/pdb
• Descriptor: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B, MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, ... (4 entities in total)
• Functional Keywords: pde3b, inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 103202.92

Authors

Concha, N.O.,Nolte, R. (deposition date: 2023-05-25, release date: 2024-02-07, Last modification date: 2024-02-21)

• Primary citation: Rowley, A.M.,Yao, G.,Andrews, L.,Bedermann, A.,Biddulph, R.,Bingham, R.,Brady, J.J.,Buxton, R.,Cecconie, T.,Cooper, R.,Csakai, A.,Gao, E.N.,Grenier-Davies, M.C.,Lawler, M.,Lian, Y.,Macina, J.,Macphee, C.,Marcaurelle, L.,Martin, J.,McCormick, P.,Pindoria, R.,Rauch, M.,Rocque, W.,Shen, Y.,Shewchuk, L.M.,Squire, M.,Stebbeds, W.,Tear, W.,Wang, X.,Ward, P.,Xiao, S.; Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.; J.Med.Chem., 67:2049-2065, 2024; PubMed: 38284310; DOI: 10.1021/acs.jmedchem.3c01562

Experimental method

X-RAY DIFFRACTION (2.7 Å)