EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
ジャーナル・号・ページ	Proc. Natl. Acad. Sci. USA, Vol. 120, Page e2216342120-e2216342120, Year 2023
掲載日	2022年8月28日 (構造データの登録日)
著者	Thompson, A.A. / Harbut, M.B. / Kung, P.P. / Karpowich, N.K. / Branson, J.D. / Grant, J.C. / Hagan, D. / Pascual, H.A. / Bai, G. / Zavareh, R.B. ...Thompson, A.A. / Harbut, M.B. / Kung, P.P. / Karpowich, N.K. / Branson, J.D. / Grant, J.C. / Hagan, D. / Pascual, H.A. / Bai, G. / Zavareh, R.B. / Coate, H.R. / Collins, B.C. / Cote, M. / Gelin, C.F. / Damm-Ganamet, K.L. / Gholami, H. / Huff, A.R. / Limon, L. / Lumb, K.J. / Mak, P.A. / Nakafuku, K.M. / Price, E.V. / Shih, A.Y. / Tootoonchi, M. / Vellore, N.A. / Wang, J. / Wei, N. / Ziff, J. / Berger, S.B. / Edwards, J.P. / Gardet, A. / Sun, S. / Towne, J.E. / Venable, J.D. / Shi, Z. / Venkatesan, H. / Rives, M.L. / Sharma, S. / Shireman, B.T. / Allen, S.J.
リンク	Proc. Natl. Acad. Sci. USA / PubMed:37098070
手法	X線回折
解像度	1.28 - 1.77 Å
構造データ	PDB-8ea5: NKG2D complexed with inhibitor 1a 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-8ea6: NKG2D complexed with inhibitor 3e 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-8ea7: NKG2D complexed with inhibitor 3g 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-8ea8: NKG2D complexed with inhibitor 4a 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-8ea9: NKG2D complexed with inhibitor 4d 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-8eaa: NKG2D complexed with inhibitor 4e 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-8eab: NKG2D complexed with inhibitor 4f 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å
化合物	ChemComp-VN8: (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione ChemComp-PGE: TRIETHYLENE GLYCOL / トリエチレングリコ-ル ChemComp-HOH: WATER ChemComp-VMB: N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-VMH: (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide ChemComp-VML: N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide ChemComp-VMQ: N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide ChemComp-PG4: TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル / 沈殿剤YM ChemComp-VMW: N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-VN2*: N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
由来	homo sapiens (ヒト)
キーワード	IMMUNOSUPPRESSANT/INHIBITOR / NKG2D / Immune System / IMMUNOSUPPRESSANT-INHIBITOR complex / IMMUNOSUPPRESSANT