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	Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 246, Page 114941-114941, Year 2023
掲載日	2022年5月25日 (構造データの登録日)
著者	Clement, D.A. / Gelin, M. / Leseigneur, C. / Huteau, V. / Mondange, L. / Pons, J.L. / Dussurget, O. / Lionne, C. / Labesse, G. / Pochet, S.
リンク	Eur. J. Med. Chem. / PubMed:36455355
手法	X線回折
解像度	1.56 - 2.53 Å
構造データ	PDB-7zz7: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7zz9: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7zza: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-7zzb: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-7zzc: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7zzd: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7zze: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-7zzf: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.41 Å PDB-7zzg: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7zzh: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7zzj: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-8a9v: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.984 Å PDB-8b47: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a cyclic di-adenosine derivative 手法: X-RAY DIFFRACTION / 解像度: 2.53 Å
化合物	ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-KGI: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid ChemComp-HOH: WATER ChemComp-KG6: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid ChemComp-KH9: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid ChemComp-KGX: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-KIG: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid ChemComp-KIC: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid ChemComp-OVL: (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione ChemComp-KHX: (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione ChemComp-KHL: (1~{R},24~{R},25~{S},26~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-25,26-bis(oxidanyl)-27-oxa-2,4,6,9,14,17,20,22-octazatetracyclo[22.2.1.0^{2,10}.0^{3,8}]heptacosa-3(8),4,6,9-tetraen-11-yne-16,21-dione ChemComp-KIO: (1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione ChemComp-KIT: (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione ChemComp-LAW: ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide ChemComp-OWU: (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one ChemComp-1PE: PENTAETHYLENE GLYCOL / ペンタエチレングリコ-ル / 沈殿剤YM ChemComp-PO4*: PHOSPHATE ION / ホスファ-ト
由来	listeria monocytogenes egd-e (バクテリア)
キーワード	TRANSFERASE / tetrameric NAD-kinase