8CNH

Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512

Summary for 8CNH

Entry DOI	10.2210/pdb8cnh/pdb
Descriptor	Adenylate cyclase type 10, methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywords	camp, adenylyl cyclase, inhibitor, catalytic domain, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	55635.78
Authors	Steegborn, C. (deposition date: 2023-02-23, release date: 2023-04-26, Last modification date: 2023-05-17)
Primary citation	Sun, S.,Fushimi, M.,Rossetti, T.,Kaur, N.,Ferreira, J.,Miller, M.,Quast, J.,van den Heuvel, J.,Steegborn, C.,Levin, L.R.,Buck, J.,Myers, R.W.,Kargman, S.,Liverton, N.,Meinke, P.T.,Huggins, D.J. Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation. J.Chem.Inf.Model., 63:2828-2841, 2023 Cited by PubMed: 37060320 DOI: 10.1021/acs.jcim.2c01577 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation