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4KML
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BU of 4kml by Molmil
Probing the N-terminal beta-sheet conversion in the crystal structure of the full-length human prion protein bound to a Nanobody
分子名称: Major prion protein, Nanobody
著者Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J.
登録日2013-05-08
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
4N9O
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Probing the N-terminal beta-sheet conversion in the crystal structure of the human prion protein bound to a Nanobody
分子名称: Major prion protein, Nanobody Nb484
著者Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J.
登録日2013-10-21
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
3SFI
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BU of 3sfi by Molmil
Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
分子名称: 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family)
著者Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N.
登録日2011-06-13
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
3SDG
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BU of 3sdg by Molmil
Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
分子名称: 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR
著者Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N.
登録日2011-06-09
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
6HEQ
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BU of 6heq by Molmil
Prion nanobody 484
分子名称: Prion nanobody 484
著者Soror, S.H, Abskharon, R.N, Wohlkonig, A.
登録日2018-08-20
公開日2019-12-04
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
6HER
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BU of 6her by Molmil
Mouse prion protein in complex with Nanobody 484
分子名称: GLYCEROL, Major prion protein, Nanobody 484, ...
著者Soror, S.H, Abskharon, R, Wohlkonig, A.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
3Q0W
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ETHR From mycobacterium tuberculosis in complex with compound BDM33066
分子名称: (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, GLYCEROL, HTH-type transcriptional regulator EthR
著者Flipo, M, Desrose, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
登録日2010-12-16
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
3QPL
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G106W mutant of EthR from Mycobacterium tuberculosis
分子名称: HTH-type transcriptional regulator EthR
著者Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A.
登録日2011-02-14
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
2X1O
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BU of 2x1o by Molmil
Gelsolin Nanobody
分子名称: GELSOLIN NANOBODY
著者Van Den Abbeele, A, Declercq, S, De Ganck, A, De Corte, V, Van Loo, B, Srinivasan, V, Steyaert, J, Van De Kerckhove, J, Gettemans, J.
登録日2010-01-03
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献A Llama-Derived Gelsolin Single-Domain Antibody Blocks Gelsolin-G-Actin Interaction.
Cell.Mol.Life Sci., 67, 2010
2X1Q
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BU of 2x1q by Molmil
Gelsolin Nanobody
分子名称: GELSOLIN NANOBODY
著者Van Den Abbeele, A, Declercq, S, De Ganck, A, De Corte, V, Van Loo, B, Srinivasan, V, Steyaert, J, Van De Kerckhove, J, Gettemans, J.
登録日2010-01-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献A Llama-Derived Gelsolin Single-Domain Antibody Blocks Gelsolin-G-Actin Interaction.
Cell.Mol.Life Sci., 67, 2010
2X1P
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BU of 2x1p by Molmil
Gelsolin Nanobody
分子名称: GELSOLIN NANOBODY
著者Van Den Abbeele, A, Declercq, S, De Ganck, A, De Corte, V, Van Loo, B, Srinivasan, V, Steyaert, J, Van De Kerckhove, J, Gettemans, J.
登録日2010-01-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A Llama-Derived Gelsolin Single-Domain Antibody Blocks Gelsolin-G-Actin Interaction.
Cell.Mol.Life Sci., 67, 2010
3TP0
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BU of 3tp0 by Molmil
Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands
分子名称: 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile, HTH-type transcriptional regulator EthR
著者Carette, X, Blondiaux, N, Willery, E, Hoos, S, Lecat-Guillet, N, Lens, Z, Wohlkonig, A, Wintjens, R, Soror, S, Fr nois, F, Diri, B, Villeret, V, England, P, Lippens, G, Deprez, B, Locht, C, Willand, N, Baulard, A.
登録日2011-09-07
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011
4JB4
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BU of 4jb4 by Molmil
Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility
分子名称: Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ...
著者Wohlkonig, A.C.
登録日2013-02-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility.
Biochemistry, 52, 2013
4M3B
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BU of 4m3b by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4M3E
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BU of 4m3e by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4M3G
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BU of 4m3g by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4M3F
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Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4M3D
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BU of 4m3d by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
3TP3
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Structure of HTH-type transcriptional regulator EthR, G106W mutant
分子名称: HTH-type transcriptional regulator EthR
著者Carette, X.
登録日2011-09-07
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011
6HOD
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44848
分子名称: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HNX
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
分子名称: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO1
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974
分子名称: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO5
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719
分子名称: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOB
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831
分子名称: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOE
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44850
分子名称: HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018

 

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