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 a Potent and Selective YTHDC1 Ligand.
ジャーナル・号・ページ	J. Med. Chem., Vol. 67, Page 9516-9535, Year 2024
掲載日	2023年8月3日 (構造データの登録日)
著者	Zalesak, F. / Nai, F. / Herok, M. / Bochenkova, E. / Bedi, R.K. / Li, Y. / Errani, F. / Caflisch, A.
リンク	J. Med. Chem. / PubMed:38787793
手法	X線回折
解像度	1.28 - 1.71 Å
構造データ	PDB-8q2q: Crystal structure of YTHDC1 in complex with Compound 2b (YL_32) 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-8q2r: Crystal structure of YTHDC1 in complex with Compound 3 (ZA_431) 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8q2s: Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232) 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-8q2t: Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236) 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-8q2u: Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308) 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-8q2v: Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560) 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-8q2w: Crystal structure of YTHDC1 in complex with Compound 8 (CS_01) 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-8q2x: Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294) 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8q2y: Crystal structure of YTHDC1 in complex with Compound 11 (ZA_572) 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-8q31: Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341) 手法: X-RAY DIFFRACTION / 解像度: 1.32 Å PDB-8q32: Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q33: Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q35: Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354) 手法: X-RAY DIFFRACTION / 解像度: 1.31 Å PDB-8q37: Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312) 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-8q38: Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347) 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-8q39: Crystal structure of YTHDC1 in complex with Compound 21 (ZA_515) 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-8q3a: Crystal structure of YTHDC1 in complex with Compound 22 (ZA_393) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q3g: Crystal structure of YTHDC1 in complex with Compound 23 (ZA_385) 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-8q4m: Crystal structure of YTHDC1 in complex with Compound 25 (ZA_349) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q4n: Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513) 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-8q4p: Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q4q: Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337) 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-8q4r: Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8q4t: Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400) 手法: X-RAY DIFFRACTION / 解像度: 1.51 Å PDB-8q4u: Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b) 手法: X-RAY DIFFRACTION / 解像度: 1.37 Å PDB-8q4v: Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356) 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-8q4w: Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a) 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å
化合物	ChemComp-IT6: 2-chloranyl-~{N},9-dimethyl-purin-6-amine ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-ITJ: 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine ChemComp-IU2: 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine ChemComp-IUA: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine ChemComp-IUH: 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine ChemComp-IUQ: 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine ChemComp-IUZ: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine ChemComp-IV6: 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid ChemComp-IVI: 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide ChemComp-IVR: 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine ChemComp-IW0: ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide ChemComp-IWV: ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide ChemComp-IWM: 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine ChemComp-IWF: 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine ChemComp-IZJ: methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate ChemComp-K1O: 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine ChemComp-IYQ: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide ChemComp-J7L: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide ChemComp-J9B: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine ChemComp-JIR: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile ChemComp-JII: 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine ChemComp-JIB: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid ChemComp-JHU: [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol ChemComp-JBD: ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide ChemComp-JA0: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine ChemComp-JO0: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine ChemComp-JNC: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
由来	homo sapiens (ヒト)
キーワード	RNA BINDING PROTEIN / YTHDC1 / inhibitor / complex / reader