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PDB: 13 件
4XTU
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BU of 4xtu by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
分子名称: Bifunctional ligase/repressor BirA, N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6500299 Å)
主引用文献Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
To be Published
4G3A
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BU of 4g3a by Molmil
Crystal Structure of MAST/Orbit N-terminal domain
分子名称: CLIP-associating protein, GLYCEROL
著者De la Mora-Rey, T.
登録日2012-07-13
公開日2013-07-17
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献The structure of the TOG-like domain of Drosophila melanogaster Mast/Orbit.
Acta Crystallogr.,Sect.F, 69, 2013
4XTX
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BU of 4xtx by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH
分子名称: 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.30010319 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTY
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BU of 4xty by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH
分子名称: 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.80002666 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
分子名称: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.30014467 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
分子名称: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.90000677 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
分子名称: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8500284 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
分子名称: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.60000169 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTV
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BU of 4xtv by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
分子名称: Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45000839 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
分子名称: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.70001328 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU3
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BU of 4xu3 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose
分子名称: Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.242677 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4WF6
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BU of 4wf6 by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2014-09-12
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6521 Å)
主引用文献Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
4XM6
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BU of 4xm6 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-14
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015

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件を2024-05-15に公開中

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