8B75

CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861

Summary for 8B75

Entry DOI	10.2210/pdb8b75/pdb
Descriptor	Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol (3 entities in total)
Functional Keywords	soluble adenylyl cyclase, adcy10, signaling enzyme, class iii cyclase, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	54764.59
Authors	Steegborn, C.,Kehr, M. (deposition date: 2022-09-28, release date: 2023-03-29, Last modification date: 2024-02-07)
Primary citation	Miller, M.,Rossetti, T.,Ferreira, J.,Ghanem, L.,Balbach, M.,Kaur, N.,Levin, L.R.,Buck, J.,Kehr, M.,Coquille, S.,van den Heuvel, J.,Steegborn, C.,Fushimi, M.,Finkin-Groner, E.,Myers, R.W.,Kargman, S.,Liverton, N.J.,Huggins, D.J.,Meinke, P.T. Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates. J.Med.Chem., 65:15208-15226, 2022 Cited by PubMed: 36346696 DOI: 10.1021/acs.jmedchem.2c01133 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.82 Å)

Structure validation