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3R1K
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BU of 3r1k by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with CoA and an acetamide moiety
Descriptor: ACETAMIDE, COENZYME A, Enhanced intracellular survival protein
Authors:Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2011-03-10
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unusual regioversatility of acetyltransferase Eis, a cause of drug resistance in XDR-TB.
Proc.Natl.Acad.Sci.USA, 108, 2011
4WOI
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BU of 4woi by Molmil
4,5-linked aminoglycoside antibiotics regulate the bacterial ribosome by targeting dynamic conformational processes within intersubunit bridge B2
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Pulk, A, Cate, J.H.D, Blanchard, S, Wasserman, M, Altman, R, Zhou, Z, Zinder, J, Green, K, Garneau-Tsodikova, S.
Deposit date:2014-10-15
Release date:2015-08-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemically related 4,5-linked aminoglycoside antibiotics drive subunit rotation in opposite directions.
Nat Commun, 6, 2015
6P3T
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BU of 6p3t by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449
Descriptor: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2019-05-24
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
6P3V
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BU of 6p3v by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416
Descriptor: DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ...
Authors:Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2019-05-24
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
6P3U
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BU of 6p3u by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335
Descriptor: 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2019-05-24
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
5IV0
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BU of 5iv0 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, Enhanced intracellular survival protein, ...
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-03-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis.
J. Med. Chem., 59, 2016
3ITW
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BU of 3itw by Molmil
Crystal structure of TioX from Micromonospora sp. ML1
Descriptor: Protein tioX
Authors:Biswas, T, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2009-08-28
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A New Scaffold of an Old Protein Fold Ensures Binding to the Bisintercalator Thiocoraline.
J.Mol.Biol., 397, 2010
6VV0
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BU of 6vv0 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354
Descriptor: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUX
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BU of 6vux by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388
Descriptor: 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUY
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BU of 6vuy by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358
Descriptor: (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUZ
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BU of 6vuz by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353
Descriptor: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUU
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BU of 6vuu by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1347
Descriptor: (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VV1
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BU of 6vv1 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384
Descriptor: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
4Z2Y
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BU of 4z2y by Molmil
Crystal structure of methyltransferase CalO6
Descriptor: CalO6, MERCURY (II) ION
Authors:Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2015-03-30
Release date:2015-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of O-methyltransferase CalO6 from the calicheamicin biosynthetic pathway: a case of challenging structure determination at low resolution.
Bmc Struct.Biol., 15, 2015
4JD6
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BU of 4jd6 by Molmil
Crystal structure of Mycobacterium tuberculosis Eis in complex with coenzyme A and tobramycin
Descriptor: COENZYME A, Enhanced intracellular survival protein, TOBRAMYCIN
Authors:Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2013-02-23
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Chemical and structural insights into the regioversatility of the aminoglycoside acetyltransferase eis.
Chembiochem, 14, 2013
5WMM
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BU of 5wmm by Molmil
Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS
Descriptor: (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, ...
Authors:Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-07-30
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for backbone N-methylation by an interrupted adenylation domain.
Nat. Chem. Biol., 14, 2018
5TVJ
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BU of 5tvj by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with CoA and inhibitor 2k*: 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
Descriptor: 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, CHLORIDE ION, COENZYME A, ...
Authors:Gajadeera, C.S, Garzan, A, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-11-09
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combating Enhanced Intracellular Survival (Eis)-Mediated Kanamycin Resistance of Mycobacterium tuberculosis by Novel Pyrrolo[1,5-a]pyrazine-Based Eis Inhibitors.
ACS Infect Dis, 3, 2017
5KDE
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BU of 5kde by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate
Descriptor: 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2-
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
5KDF
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BU of 5kdf by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate
Descriptor: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ...
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
6B0U
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BU of 6b0u by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a Lys-containing peptide
Descriptor: COENZYME A, N-acetyltransferase Eis, Synthetic peptide ATKAPAKKA
Authors:Biswas, T, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-09-15
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acetylation by Eis and Deacetylation by Rv1151c of Mycobacterium tuberculosis HupB: Biochemical and Structural Insight.
Biochemistry, 57, 2018
6B3T
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BU of 6b3t by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b
Descriptor: 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole, COENZYME A, N-acetyltransferase Eis, ...
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Ngo, H.X, Tsodikov, O.V.
Deposit date:2017-09-24
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
3U9F
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BU of 3u9f by Molmil
Structure of CATI in complex with chloramphenicol
Descriptor: CHLORAMPHENICOL, Chloramphenicol acetyltransferase
Authors:Biswas, T, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2011-10-18
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structural basis for substrate versatility of chloramphenicol acetyltransferase CAT(I).
Protein Sci., 21, 2012
3U9B
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BU of 3u9b by Molmil
Structure of apo-CATI
Descriptor: Chloramphenicol acetyltransferase
Authors:Biswas, T, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2011-10-18
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis for substrate versatility of chloramphenicol acetyltransferase CAT(I).
Protein Sci., 21, 2012
8D1R
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BU of 8d1r by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520
Descriptor: 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-05-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8D25
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BU of 8d25 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530
Descriptor: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-05-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022

 

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