6VHU
 
 | | Klebsiella oxytoca NpsA N-terminal subdomain in space group P21 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHV
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6VHY
 | | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | | 分子名称: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHX
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxyanthranilyl-AMSN | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHZ
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN | | 分子名称: | 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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4XTX
 | | 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
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4XJP
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | 著者 | Finzel, B.C, Dai, R. | | 登録日 | 2015-01-08 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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4XTY
 | | 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
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4XEW
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | | 分子名称: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Finzel, B.C, Dai, R. | | 登録日 | 2014-12-25 | | 公開日 | 2015-07-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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4XTW
 | | 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
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4XTZ
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4XU2
 | | 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
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4XU0
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4XU3
 | | 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
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4XTV
 | | 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
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4XU1
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4Z0M
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4ZXH
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ... | | 著者 | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | 登録日 | 2015-05-20 | | 公開日 | 2015-12-30 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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4ZXI
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | 登録日 | 2015-05-20 | | 公開日 | 2015-12-30 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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5E0N
 | | Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis | | 分子名称: | Enoyl-CoA hydratase/isomerase | | 著者 | Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R. | | 登録日 | 2015-09-29 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.061 Å) | | 主引用文献 | Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
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