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	Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
ジャーナル・号・ページ	J. Med. Chem., Vol. 66, Page 6013-6024, Year 2023
掲載日	2022年8月2日 (構造データの登録日)
著者	Chopra, A. / Bauman, J.D. / Ruiz, F.X. / Arnold, E.
リンク	J. Med. Chem. / PubMed:37115705
手法	X線回折
解像度	1.8 - 2.25 Å
構造データ	PDB-8dx2: HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-amino-3-bromopyridine at multiple sites 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-8dx3: HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the thumb subdomain 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-8dx8: HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-chloro-6-fluorophenethylamine at the 415 site 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-8dxb: HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroindole-2-carboxylic acid at the NNRTI Adjacent site 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8dxe: HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-amino-6-fluorobenzonitrile at the NNRTI adjacent site 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-8dxg: HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8dxh: HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroquinazolin-4-ol at W266 site 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8dxi: HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-8dxj: HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8dxk: HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-8dxl: HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-8dxm: HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromophenol at the Knuckles site 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å
化合物	ChemComp-T27: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile / 薬剤, 阻害剤YM ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, 沈殿剤YM ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-MG: Unknown entry ChemComp-V06: 3-bromopyridin-4-amine ChemComp-SO4: SULFATE ION ChemComp-HOH: WATER ChemComp-4JH: 1-(3-bromophenyl)methanamine ChemComp-W15: 2-(2-chloro-6-fluorophenyl)ethan-1-amine ChemComp-FIC: 5-fluoroindole-2-carboxylic acid ChemComp-0IF: 2-amino-6-fluorobenzonitrile ChemComp-U4D: 5-(trifluoromethyl)pyridin-2-one ChemComp-JBQ: 5-fluoranyl-3,4-dihydroquinazolin-4-ol ChemComp-FMQ: [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol ChemComp-U43: N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine ChemComp-BYZ: 4-bromo-1H-pyrazole ChemComp-PYZ: 4-IODOPYRAZOLE ChemComp-BML: 4-BROMOPHENOL
由来	human immunodeficiency virus 1 (ヒト免疫不全ウイルス) human immunodeficiency virus type 1 group m subtype b (isolate bh10) (ヒト免疫不全ウイルス) human immunodeficiency virus type 1 bh10 (ヒト免疫不全ウイルス) human immunodeficiency virus 1ahuman immunodeficiency virus type 1 group m subtype b (isolate bh10) (ヒト免疫不全ウイルス)
キーワード	TRANSFERASE / HIV-1 reverse transcriptase