8COJ

Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228

Summary for 8COJ

Entry DOI	10.2210/pdb8coj/pdb
Descriptor	Adenylate cyclase type 10, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywords	camp, sac, inhibitor complex, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	55331.40
Authors	Steegborn, C.,Fushimi, M. (deposition date: 2023-02-28, 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 (2.1 Å)

Structure validation