7NY2
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 35
Summary for 7NY2
Entry DOI | 10.2210/pdb7ny2/pdb |
Related | 7NTR 7NWA 7NWB 7NWC 7NWE 7NWM 7NXN 7NXO |
Descriptor | Branched-chain-amino-acid aminotransferase, cytosolic, 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile, 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 | 87973.95 |
Authors | Hillig, R.C. (deposition date: 2021-03-19, 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: 36261130DOI: 10.1021/acs.jmedchem.2c00441 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.31 Å) |
Structure validation
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