5WMM
 
 | | Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS | | 分子名称: | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2017-07-30 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for backbone N-methylation by an interrupted adenylation domain.
Nat. Chem. Biol., 14, 2018
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8D1R
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | | 分子名称: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-05-27 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8D25
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | | 分子名称: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-05-27 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8D23
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | | 分子名称: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-05-27 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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5DBJ
 | | Crystal structure of halogenase PltA | | 分子名称: | CHLORIDE ION, FADH2-dependent halogenase PltA, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Pang, A.H, Tsodikov, O.V. | | 登録日 | 2015-08-21 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal structure of halogenase PltA from the pyoluteorin biosynthetic pathway.
J.Struct.Biol., 192, 2015
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8JA2
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5KDE
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | | 分子名称: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | | 著者 | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2016-06-08 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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5KDF
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate | | 分子名称: | CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ... | | 著者 | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2016-06-08 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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4QIF
 | | Crystal Structure of PduA with edge mutation K26A and pore mutation S40H | | 分子名称: | D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... | | 著者 | Pang, A.H, Sawaya, M.R, Yeates, T.O. | | 登録日 | 2014-05-30 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9951 Å) | | 主引用文献 | Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4QIG
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4QIV
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4QIE
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8F4A
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine | | 分子名称: | 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-10 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F55
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614 | | 分子名称: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F57
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615 | | 分子名称: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-12 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4W
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine | | 分子名称: | 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F58
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616 | | 分子名称: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-12 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4Z
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4U
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine | | 分子名称: | 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-11 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F51
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2022-11-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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6BZZ
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6BZN
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6BZI
 | | Crystal structure of halogenase PltM in complex with ethyl mercury and mercury | | 分子名称: | CALCIUM ION, ETHYL MERCURY ION, GLYCEROL, ... | | 著者 | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2017-12-24 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
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6BZQ
 | | Crystal structure of halogenase PltM in complex with FAD | | 分子名称: | BROMIDE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2017-12-25 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
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6BZA
 | | Crystal structure of halogenase PltM in complex with phloroglucinol and FAD | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM, ... | | 著者 | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2017-12-22 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
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