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2AQ7
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STRUCTURE-ACTIVITY RELATIONSHIPS AT THE 5-POSIITON OF THIOLACTOMYCIN: AN INTACT 5(R)-ISOPRENE UNIT IS REQUIRED FOR ACTIVITY AGAINST THE CONDENSING ENZYMES FROM MYCOBACTERIUM TUBERCULOSIS AND ESCHERICHIA COLI
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase I, (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE
Authors:Kim, P., Zhang, Y.M., Shenoy, G., Nguyen, Q.A., Boshoff, H.I., Manjunatha, U.H., Goodwin, M.B., Lonsdale, J., Price, A.C., Miller, D.J.
Deposit date:2005-08-17
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
2AQB
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STRUCTURE-ACTIVITY RELATIONSHIPS AT THE 5-POSITION OF THIOLACTOMYCIN: AN INTACT 5(R)-ISOPRENE UNIT IS REQUIRED FOR ACTIVITY AGAINST THE CONDENSING ENZYMES FROM MYCOBACTERIUM TUBERCULOSIS AND ESCHERCHIA COLI
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase I, (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE
Authors:Kim, P., Zhang, Y.M., Shenoy, G., Nguyen, Q.A., Boshoff, H.I., Manjunatha, U.H., Goodwin, M.B., Lonsdale, J., Price, A.C., Miller, D.J.
Deposit date:2005-08-17
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
3R5L
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STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDUCTIVE ACTIVATION OF PA-824
Descriptor:Deazaflavin-dependent nitroreductase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayyar, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-18
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5P
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STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDUCTIVE ACTIVATION OF PA-824
Descriptor:Deazaflavin-dependent nitroreductase, SULFATE ION
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayya, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-19
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDUCTIVE ACTIVATION OF PA-824, WITH CO-FACTOR F420
Descriptor:Deazaflavin-dependent nitroreductase, COENZYME F420
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayya, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-19
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5W
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STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDUCTIVE ACTIVATION OF PA-824, WITH CO-FACTOR F420
Descriptor:Deazaflavin-dependent nitroreductase, COENZYME F420
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayya, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-20
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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STRUCTURE OF A DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM NOCARDIA FARCINICA, WITH CO-FACTOR F420
Descriptor:Putative uncharacterized protein, COENZYME F420
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayya, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-20
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Z
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STRUCTURE OF A DEAZAFLAVIN-DEPENDENT REDUCTASE FROM NOCARDIA FARCINICA, WITH CO-FACTOR F420
Descriptor:Putative uncharacterized protein, COENZYME F420, SULFATE ION
Authors:Cellitti, S.E., Shaffer, J., Jones, D.H., Mukherjee, T., Gurumurthy, M., Bursulaya, B., Boshoff, H.I.M., Choi, I., Nayya, A., Lee, Y.S., Cherian, J., Niyomrattanakit, P., Dick, T., Manjunatha, U.H., Barry, C.E., Spraggon, G., Geierstanger, B.H.
Deposit date:2011-03-20
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
4R9R
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MYCOBACTERIUM TUBERCULOSIS INHA BOUND TO NITD-564
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
Authors:Noble, C.G.
Deposit date:2014-09-07
Release date:2015-01-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
4R9S
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MYCOBACTERIUM TUBERCULOSIS INHA BOUND TO NITD-916
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one
Authors:Noble, C.G.
Deposit date:2014-09-07
Release date:2015-01-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015