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	Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 208, Page 112721-112721, Year 2020
掲載日	2020年2月23日 (構造データの登録日)
著者	Rohm, S. / Schroder, M. / Dwyer, J.E. / Widdowson, C.S. / Chaikuad, A. / Berger, B.T. / Joerger, A.C. / Kramer, A. / Harbig, J. / Dauch, D. ...Rohm, S. / Schroder, M. / Dwyer, J.E. / Widdowson, C.S. / Chaikuad, A. / Berger, B.T. / Joerger, A.C. / Kramer, A. / Harbig, J. / Dauch, D. / Kudolo, M. / Laufer, S. / Bagley, M.C. / Knapp, S.
リンク	Eur. J. Med. Chem. / PubMed:33035818
手法	X線回折
解像度	1.6 - 2.1 Å
構造データ	PDB-6y4t: Crystal structure of p38 in complex with SR63. 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-6y4u: Crystal structure of p38 in complex with SR65 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-6y4v: Crystal structure of p38 in complex with SR68 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-6y4w: Crystal structure of p38 in complex with SR69 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-6y4x: Crystal structure of p38 in complex with SR72 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6y6v: p38a bound with MCP-81 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6yjc: Crystal structure of p38alpha in complex with SR154 手法: X-RAY DIFFRACTION / 解像度: 1.74100939272 Å PDB-6yk7: Crystal structure of p38 in complex with SR43 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6zwp: p38a bound with SR348 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6zwr: p38a bound with SR92 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
化合物	ChemComp-O8W: 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-O98: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-O8Z: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-O8T: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-O8Q: 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-OE5: 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-OSZ: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-OU2: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-OE8: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide ChemComp-OEB: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
由来	mus musculus (ハツカネズミ) homo sapiens (ヒト)
キーワード	TRANSFERASE / kinase / kinase inhibitor / MAPK / MAPK14 / Structural Genomics / Structural Genomics Consortium / SGC / Inhibitor / p38a