6VUR
| Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 | Descriptor: | 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 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 (2.2 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VUW
| Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368 | Descriptor: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, GLYCEROL, N-acetyltransferase Eis, ... | 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 (2.87 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VV3
| Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 | Descriptor: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 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 (2.4 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6X10
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-17 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6G
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol | Descriptor: | 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6I
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6Y
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1264 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X7A
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572 | Descriptor: | 4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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7CKP
| Mycobacterium tuberculosis Enolase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION | Authors: | Biswal, B.K, Ahmad, M, Jha, B. | Deposit date: | 2020-07-18 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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7CLL
| Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate | Descriptor: | 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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5VRM
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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5VRN
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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5VRL
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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7E51
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7E4X
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7E4F
| Mycobacterium tuberculosis enolase mutant - E204A complex with phosphoenolpyruvate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ahmad, M, Pal, R.K, Biswal, B.K. | Deposit date: | 2021-02-11 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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2D1F
| Structure of Mycobacterium tuberculosis threonine synthase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Threonine synthase | Authors: | Covarrubias, A.S, Bergfors, T, Mannerstedt, K, Oscarson, S, Jones, T.A, Mowbray, S.L, Hogbom, M. | Deposit date: | 2005-08-20 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural, biochemical, and in vivo investigations of the threonine synthase from Mycobacterium tuberculosis. J.Mol.Biol., 381, 2008
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3CY1
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3CXX
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3CY0
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3CXV
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3CXZ
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3CXY
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