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	Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
ジャーナル・号・ページ	Acs Bio Med Chem Au, Year 2023
掲載日	2021年2月10日 (構造データの登録日)
著者	Bedi, R.K. / Huang, D. / Li, Y. / Caflisch, A.
リンク	Acs Bio Med Chem Au / PubMedで検索
手法	X線回折
解像度	1.85 - 3.35 Å
構造データ	PDB-7nhg: Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7nhh: Crystal structure of the human METTL3-METTL14 complex with compound UOZ002 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7nhi: Crystal structure of the human METTL3-METTL14 complex with compound UOZ004 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7nhj: Crystal structure of the human METTL3-METTL14 complex with compound DHU_M3M_154 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-7nhv: Crystal structure of the human METTL3-METTL14 complex with compound UOZ016 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-7ni7: Crystal structure of the human METTL3-METTL14 complex with compound UOZ031 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7ni8: Crystal structure of the human METTL3-METTL14 complex with compound UOZ040a 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7ni9: Crystal structure of the human METTL3-METTL14 complex with compound UOZ058 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7nia: Crystal structure of the human METTL3-METTL14 complex with compound UOZ059a 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7nid: Crystal structure of the human METTL3-METTL14 complex with compound UOZ078 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7oed: Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-7oee: Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-7oef: Crystal structure of the human METTL3-METTL14 complex with compound UOZ038 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-7oeg: Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b 手法: X-RAY DIFFRACTION / 解像度: 2.79 Å PDB-7oeh: Crystal structure of the human METTL3-METTL14 complex with compound UOZ059b 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-7oei: Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-7oej: Crystal structure of the human METTL3-METTL14 complex with compound UOZ090 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7oek: Crystal structure of the human METTL3-METTL14 complex with compound UOZ091 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7oel: Crystal structure of the human METTL3-METTL14 complex with compound UOZ097 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7oem: Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7oql: Crystal structure of the human METTL3-METTL14 complex with compound UOZ094 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7oqo: Crystal structure of the human METTL3-METTL14 complex with compound UOZ111 手法: X-RAY DIFFRACTION / 解像度: 3.35 Å PDB-7oqp: Crystal structure of the human METTL3-METTL14 complex with compound UOZ113 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å
化合物	ChemComp-UDQ: N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide ChemComp-ACT: ACETATE ION / 酢酸イオン / 酢酸塩 ChemComp-HOH: WATER / 水 ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-UDK: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide ChemComp-UE2: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide ChemComp-UDW: (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide ChemComp-UE5: (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide ChemComp-UEH: (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide ChemComp-UEE: (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide ChemComp-UEW: N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide ChemComp-UEQ: 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide ChemComp-UEZ: (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol ChemComp-VB5: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide ChemComp-VB2: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide ChemComp-VAT: 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide ChemComp-6IK: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide ChemComp-V9W: (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol ChemComp-V9T: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide ChemComp-VAQ: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide ChemComp-VA8: ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide ChemComp-VB8: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide ChemComp-0AE: (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol ChemComp-0BA: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide ChemComp-0BH: N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE (転移酵素) / METTL3 / METTL14 / M6A / Inhibitor / Complex