タイトル | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. |
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ジャーナル・号・ページ | Biochim Biophys Acta Proteins Proteom, Vol. 1867, Page 248-258, Year 2018 |
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掲載日 | 2018年9月17日 (構造データの登録日) |
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著者 | Tanina, A. / Wohlkonig, A. / Soror, S.H. / Flipo, M. / Villemagne, B. / Prevet, H. / Deprez, B. / Moune, M. / Peree, H. / Meyer, F. ...Tanina, A. / Wohlkonig, A. / Soror, S.H. / Flipo, M. / Villemagne, B. / Prevet, H. / Deprez, B. / Moune, M. / Peree, H. / Meyer, F. / Baulard, A.R. / Willand, N. / Wintjens, R. |
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リンク | Biochim Biophys Acta Proteins Proteom / PubMed:30553830 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.5 Å |
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構造データ | PDB-6hnx: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6hnz: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6ho0: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41325 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6ho1: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6ho2: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM43138 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6ho3: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM43265 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6ho4: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6ho5: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6ho6: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44725 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6ho7: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44814 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6ho8: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44815 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-6ho9: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6hoa: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6hob: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6hoc: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44847 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6hod: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44848 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6hoe: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44850 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6hof: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44852 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
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化合物 | ChemComp-GFZ: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
ChemComp-GH5: 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
ChemComp-GFK: 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
ChemComp-GFW: ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
ChemComp-GHN: ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
ChemComp-GJ2: 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
ChemComp-GFQ: 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GH8: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
ChemComp-GGK: 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
ChemComp-GHQ: ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GG8: ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
ChemComp-GHB: 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GGN: 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GJ5: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GJE: 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
ChemComp-GHK: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
ChemComp-GH2: ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
ChemComp-GJ8: 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
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由来 | - mycobacterium tuberculosis cdc1551 (結核菌)
- mycobacterium tuberculosis (strain atcc 25618 / h37rv) (結核菌)
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キーワード | DNA BINDING PROTEIN / HELIX-TURN-HELIX / TETR-FAMILY / COMPLEX / INHIBITOR / DRUG DESIGN / TUBERCULOSIS / ETHIONAMIDE |
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