8ER7

FKBP12-FRB in Complex with Compound 12

Summary for 8ER7

• Entry DOI: 10.2210/pdb8er7/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, non-specific serine/threonine protein kinase, (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, ... (5 entities in total)
• Functional Keywords: antitumor, mtorc1, complex (isomerase-kinase) complex, complex (isomerase/kinase)
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 6
• Total formula weight: 72799.27

Authors

Tomlinson, A.C.A.,Yano, J.K. (deposition date: 2022-10-11, release date: 2022-12-28, Last modification date: 2023-10-25)

• Primary citation: Burnett, G.L.,Yang, Y.C.,Aggen, J.B.,Pitzen, J.,Gliedt, M.K.,Semko, C.M.,Marquez, A.,Evans, J.W.,Wang, G.,Won, W.S.,Tomlinson, A.C.A.,Kiss, G.,Tzitzilonis, C.,Thottumkara, A.P.,Cregg, J.,Mellem, K.T.,Choi, J.S.,Lee, J.C.,Zhao, Y.,Lee, B.J.,Meyerowitz, J.G.,Knox, J.E.,Jiang, J.,Wang, Z.,Wildes, D.,Wang, Z.,Singh, M.,Smith, J.A.M.,Gill, A.L.; Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.; J.Med.Chem., 66:149-169, 2023; PubMed: 36533617; DOI: 10.1021/acs.jmedchem.2c01658

Experimental method

X-RAY DIFFRACTION (3.07 Å)