8SE6

NKG2D complexed with inhibitor 36

Summary for 8SE6

• Entry DOI: 10.2210/pdb8se6/pdb
• Descriptor: NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL, N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, ... (5 entities in total)
• Functional Keywords: nkg2d, del, cryptic pocket, immunoreceptors, immune system, signaling protein, immune system-inhibitor complex, immune system/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 31120.12

Authors

Thompson, A.A.,Grant, J.C.,Karpowich, N.K.,Sharma, S. (deposition date: 2023-04-08, release date: 2023-10-11, Last modification date: 2023-11-01)

• Primary citation: Wang, J.,Nakafuku, K.M.,Ziff, J.,Gelin, C.F.,Gholami, H.,Thompson, A.A.,Karpowich, N.K.,Limon, L.,Coate, H.R.,Damm-Ganamet, K.L.,Shih, A.Y.,Grant, J.C.,Cote, M.,Mak, P.A.,Pascual, H.A.,Rives, M.L.,Edwards, J.P.,Venable, J.D.,Venkatesan, H.,Shi, Z.,Allen, S.J.,Sharma, S.,Kung, P.P.,Shireman, B.T.; Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).; Bioorg.Med.Chem.Lett., 96:129492-129492, 2023; PubMed: 37778428; DOI: 10.1016/j.bmcl.2023.129492

Experimental method

X-RAY DIFFRACTION (1.36 Å)