6IWI

Crystal structure of PDE5A in complex with a novel inhibitor

Summary for 6IWI

• Entry DOI: 10.2210/pdb6iwi/pdb
• Descriptor: cGMP-specific 3',5'-cyclic phosphodiesterase, MAGNESIUM ION, ZINC ION, ... (5 entities in total)
• Functional Keywords: pde5a, inhibitor, complex structure, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 40622.37

Authors

Zhang, X.L.,Xu, Y.C. (deposition date: 2018-12-05, release date: 2019-12-11, Last modification date: 2024-03-27)

• Primary citation: Wang, Z.,Jiang, X.,Zhang, X.,Tian, G.,Yang, R.,Wu, J.,Zou, X.,Liu, Z.,Yang, X.,Wu, C.,Shi, J.,Li, J.,Suo, J.,Wang, Y.,Zhang, R.,Xu, Z.,Gong, X.,He, Y.,Zhu, W.,Aisa, H.A.,Jiang, H.,Xu, Y.,Shen, J.; Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.; J.Med.Chem., 62:4979-4990, 2019; PubMed: 31021628; DOI: 10.1021/acs.jmedchem.9b00123

Experimental method

X-RAY DIFFRACTION (2.155 Å)