7BHV

Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28

Summary for 7BHV

Entry DOI	10.2210/pdb7bhv/pdb
Descriptor	S-adenosylmethionine synthase isoform type-2, 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, ... (4 entities in total)
Functional Keywords	allosteric inhibitor, fragment-based drug design, synthetic lethal therapy, oncology, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44634.02
Authors	Schimpl, M.,De Fusco, C.,Borjesson, U.,Cheung, T.,Collie, I.,Evans, L.,Narasimhan, P.,Stubbs, C.,Vazquez-Chantada, M.,Wagner, D.J.,Grondine, M.,Tentarelli, S.,Underwood, E.,Argyrou, A.,Bagal, S.,Chiarparin, E.,Robb, G.,Scott, J.S. (deposition date: 2021-01-11, release date: 2021-04-21, Last modification date: 2021-06-09)
Primary citation	De Fusco, C.,Schimpl, M.,Borjesson, U.,Cheung, T.,Collie, I.,Evans, L.,Narasimhan, P.,Stubbs, C.,Vazquez-Chantada, M.,Wagner, D.J.,Grondine, M.,Sanders, M.G.,Tentarelli, S.,Underwood, E.,Argyrou, A.,Smith, J.M.,Lynch, J.T.,Chiarparin, E.,Robb, G.,Bagal, S.K.,Scott, J.S. Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64:6814-6826, 2021 Cited by PubMed: 33900758 DOI: 10.1021/acs.jmedchem.1c00067 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.16 Å)

Structure validation