タイトル | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs |
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ジャーナル・号・ページ | Chemistry, Vol. 23, Page 14345-14357, Year 2017 |
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掲載日 | 2017年5月16日 (構造データの登録日) |
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著者 | Schwertz, G. / Frei, M.S. / Witschel, M.C. / Rottmann, M. / Leartsakulpanich, U. / Chitnumsub, P. / Jaruwat, A. / Ittarat, W. / Schafer, A. / Aponte, R.A. ...Schwertz, G. / Frei, M.S. / Witschel, M.C. / Rottmann, M. / Leartsakulpanich, U. / Chitnumsub, P. / Jaruwat, A. / Ittarat, W. / Schafer, A. / Aponte, R.A. / Trapp, N. / Mark, K. / Chaiyen, P. / Diederich, F. |
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リンク | Chemistry / PubMed:28967982 |
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手法 | X線回折 |
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解像度 | 2.16 - 2.55 Å |
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構造データ | PDB-5xmp: Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5xmq: Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5xmr: Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5xms: Plasmodium vivax SHMT bound with PLP-glycine and GS498 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-5xmt: Plasmodium vivax SHMT bound with PLP-glycine and GS380 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5xmu: Plasmodium vivax SHMT bound with PLP-glycine and GS363 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-5xmv: Plasmodium vivax SHMT bound with PLP-glycine and GS362 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å |
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化合物 | ChemComp-PLG: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
ChemComp-8A3: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide
ChemComp-8A6: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide
ChemComp-8AO: (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2
ChemComp-8B3: (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-
ChemComp-8B0: (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
ChemComp-8A0: (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
ChemComp-8AU: (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-
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由来 | - plasmodium vivax (マラリア 病原虫)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / alpha and beta protein / methyltransferase activity (メチルトランスフェラーゼ) / TRANSFERASE-TRANSFERASE INHIBITOR complex / Transferase (転移酵素) / Inhibitor |
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