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8CRL
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BU of 8crl by Molmil
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
著者Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
登録日2023-03-08
公開日2023-06-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRJ
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BU of 8crj by Molmil
Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)
分子名称: 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ...
著者Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
登録日2023-03-08
公開日2023-06-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRI
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BU of 8cri by Molmil
Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ...
著者Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
登録日2023-03-08
公開日2023-06-07
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8FI3
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BU of 8fi3 by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
分子名称: BIOTIN, Bifunctional ligase/repressor BirA
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-12-15
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
To be published
8F8U
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Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
分子名称: Bifunctional ligase/repressor BirA, IMIDAZOLE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-22
公開日2022-11-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
To be published
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
分子名称: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
著者Wilce, M.C.J, Cini, D.A.
登録日2022-09-30
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
7DBS
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BU of 7dbs by Molmil
Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotin
分子名称: BIOTIN, Biotin/lipoate protein ligase-like protein
著者Rajak, M, Sundd, M.
登録日2020-10-21
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Leishmania major biotin protein ligase forms a unique cross-handshake dimer.
Acta Crystallogr D Struct Biol, 77, 2021
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
分子名称: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者Wilce, M.C.J, Cini, D.
登録日2019-05-01
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6JHU
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BU of 6jhu by Molmil
Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP
分子名称: BIOTINYL-5-AMP, Biotin/lipoate protein ligase-like protein, SULFATE ION
著者Rajak, M, Patel, A, Sundd, M.
登録日2019-02-19
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Leishmania major biotin protein ligase forms a unique cross-handshake dimer
Acta Crystallogr.,Sect.D, 77, 2021
6NDL
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BU of 6ndl by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor
分子名称: 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL
著者Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K.
登録日2018-12-13
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
6CK0
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BU of 6ck0 by Molmil
Crystal Structure of Biotin Acetyl Coenzyme A Carboxylase Synthetase from Helicobacter pylori with bound Biotinylated ATP
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine, Biotin acetyl coenzyme A carboxylase synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-02-27
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Biotin Acetyl Coenzyme A Carboxylase Synthetase from Helicobacter pylori with bound Biotinylated ATP
to be published
5T8U
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BU of 5t8u by Molmil
Crystal structure of P. falciparum LipL1 in complex lipoate
分子名称: LIPOIC ACID, Lipoate-protein ligase 1
著者Guerra, A.J, Afanador, G.A, Prigge, S.T.
登録日2016-09-08
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献Crystal structure of lipoate-bound lipoate ligase 1, LipL1, from Plasmodium falciparum.
Proteins, 85, 2017
5IJ6
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BU of 5ij6 by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
分子名称: CHLORIDE ION, LIPOIC ACID, Lipoate--protein ligase, ...
著者Hughes, S.J, Lyle, A.G, Song, J.H, Antoshchenko, T, Park, H.
登録日2016-03-01
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
to be published
5IDH
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BU of 5idh by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
分子名称: 8-bromooctanoic acid, Lipoate--protein ligase
著者Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
登録日2016-02-24
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
To Be Published
5ICH
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BU of 5ich by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
分子名称: 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine, Lipoate--protein ligase
著者Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
登録日2016-02-23
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
to be published
5ICL
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BU of 5icl by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoyl-AMP
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Park, H.W.
登録日2016-02-23
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoyl-AMP
To Be Published
5IBY
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BU of 5iby by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoic acid
分子名称: LIPOIC ACID, Lipoate--protein ligase
著者Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
登録日2016-02-22
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate protein ligase A (lplA-2) in complex with lipoic acid
TO BE PUBLISHED
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
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
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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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

 

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