7NY9

CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 38

Summary for 7NY9

Entry DOI	10.2210/pdb7ny9/pdb
Related	7NTR 7NWA 7NWB 7NWC 7NWE 7NWM 7NXN 7NXO 7NY2
Descriptor	Branched-chain-amino-acid aminotransferase, cytosolic, 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide, PYRIDOXAL-5'-PHOSPHATE, ... (5 entities in total)
Functional Keywords	branched-chain-amino-acid aminotransferase, pyridoxal-phosphate-dependent aminotransferase, transferase, small molecule inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	87984.20
Authors	Hillig, R.C. (deposition date: 2021-03-22, release date: 2022-11-02, Last modification date: 2024-01-31)
Primary citation	Gunther, J.,Hillig, R.C.,Zimmermann, K.,Kaulfuss, S.,Lemos, C.,Nguyen, D.,Rehwinkel, H.,Habgood, M.,Lechner, C.,Neuhaus, R.,Ganzer, U.,Drewes, M.,Chai, J.,Bouche, L. BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65:14366-14390, 2022 Cited by PubMed: 36261130 DOI: 10.1021/acs.jmedchem.2c00441 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation