-
1
-
-
33845493459
-
-
Aziz M.A., Wright A., Laszlo A., De Muynck A., Portaels F., Van Deun A., Wells C., Nunn P., Blanc L., and Raviglione M. Lancet 368 (2006) 2142
-
(2006)
Lancet
, vol.368
, pp. 2142
-
-
Aziz, M.A.1
Wright, A.2
Laszlo, A.3
De Muynck, A.4
Portaels, F.5
Van Deun, A.6
Wells, C.7
Nunn, P.8
Blanc, L.9
Raviglione, M.10
-
5
-
-
0345306174
-
-
Morlock G.P., Metchock B., Sikes D., Crawford J.T., and Cooksey R.C. Antimicrob. Agents Chemother. 47 (2003) 3799
-
(2003)
Antimicrob. Agents Chemother.
, vol.47
, pp. 3799
-
-
Morlock, G.P.1
Metchock, B.2
Sikes, D.3
Crawford, J.T.4
Cooksey, R.C.5
-
9
-
-
0032472224
-
-
Rozwarski D.A., Grant G.A., Barton D.H., Jacobs Jr. W.R., and Sacchettini J.C. Science 279 (1998) 98
-
(1998)
Science
, vol.279
, pp. 98
-
-
Rozwarski, D.A.1
Grant, G.A.2
Barton, D.H.3
Jacobs Jr., W.R.4
Sacchettini, J.C.5
-
11
-
-
0035861550
-
-
Schaeffer M.L., Agnihotri G., Volker C., Kallender H., Brennan P.J., and Lonsdale J.T. J. Biol. Chem. 276 (2001) 47029
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 47029
-
-
Schaeffer, M.L.1
Agnihotri, G.2
Volker, C.3
Kallender, H.4
Brennan, P.J.5
Lonsdale, J.T.6
-
12
-
-
10744227939
-
-
Kuo M.R., Morbidoni H.R., Alland D., Sneddon S.F., Gourlie B.B., Staveski M.M., Leonard M., Gregory J.S., Janjigian A.D., Yee C., Kreiswirth B., Iwamoto H., Perozzo R., Jacobs Jr. W.R., Sacchettini J.C., and Fidock D.A. J. Biol. Chem. 26 (2003) 26
-
(2003)
J. Biol. Chem.
, vol.26
, pp. 26
-
-
Kuo, M.R.1
Morbidoni, H.R.2
Alland, D.3
Sneddon, S.F.4
Gourlie, B.B.5
Staveski, M.M.6
Leonard, M.7
Gregory, J.S.8
Janjigian, A.D.9
Yee, C.10
Kreiswirth, B.11
Iwamoto, H.12
Perozzo, R.13
Jacobs Jr., W.R.14
Sacchettini, J.C.15
Fidock, D.A.16
-
14
-
-
0034595879
-
-
Kremer L., Douglas J.D., Baulard A.R., Guy M.R., Morehouse C., Alland D., Dover L.G., Lakey J.H., Jacobs Jr. W.R., Brennan P.J., Minnikin D.E., and Besra G.S. J. Biol. Chem. 275 (2000) 16857
-
(2000)
J. Biol. Chem.
, vol.275
, pp. 16857
-
-
Kremer, L.1
Douglas, J.D.2
Baulard, A.R.3
Guy, M.R.4
Morehouse, C.5
Alland, D.6
Dover, L.G.7
Lakey, J.H.8
Jacobs Jr., W.R.9
Brennan, P.J.10
Minnikin, D.E.11
Besra, G.S.12
-
15
-
-
0347361707
-
-
Ducasse-Cabanot S., Cohen-Gonsaud M., Marrakchi H., Nguyen M., Zerbib D., Bernadou J., Daffe M., Labesse G., and Quemard A. Antimicrob. Agents Chemother. 48 (2004) 242
-
(2004)
Antimicrob. Agents Chemother.
, vol.48
, pp. 242
-
-
Ducasse-Cabanot, S.1
Cohen-Gonsaud, M.2
Marrakchi, H.3
Nguyen, M.4
Zerbib, D.5
Bernadou, J.6
Daffe, M.7
Labesse, G.8
Quemard, A.9
-
17
-
-
0031689089
-
-
Basso L.A., Zheng R., Musser J.M., Jacobs Jr. W.R., and Blanchard J.S. J. Infect. Dis. 178 (1998) 769
-
(1998)
J. Infect. Dis.
, vol.178
, pp. 769
-
-
Basso, L.A.1
Zheng, R.2
Musser, J.M.3
Jacobs Jr., W.R.4
Blanchard, J.S.5
-
19
-
-
0035984784
-
-
Nguyen M., Quemard A., Broussy S., Bernadou J., and Meunier B. Antimicrob. Agents Chemother. 46 (2002) 2137
-
(2002)
Antimicrob. Agents Chemother.
, vol.46
, pp. 2137
-
-
Nguyen, M.1
Quemard, A.2
Broussy, S.3
Bernadou, J.4
Meunier, B.5
-
20
-
-
0038814033
-
-
Broussy S., Coppel Y., Nguyen M., Bernadou J., and Meunier B. Chemistry 9 (2003) 2034
-
(2003)
Chemistry
, vol.9
, pp. 2034
-
-
Broussy, S.1
Coppel, Y.2
Nguyen, M.3
Bernadou, J.4
Meunier, B.5
-
21
-
-
28744445549
-
-
Broussy S., Bernardes-Genisson V., Quemard A., Meunier B., and Bernadou J. J. Org. Chem. 70 (2005) 10502
-
(2005)
J. Org. Chem.
, vol.70
, pp. 10502
-
-
Broussy, S.1
Bernardes-Genisson, V.2
Quemard, A.3
Meunier, B.4
Bernadou, J.5
-
23
-
-
34447335882
-
-
note
-
Such as mono- and poly-ADP-ribosylation of protein, cell signaling ((cyclic ADP-ribose), DNA repair and recombination, and histone deacetylation catalyzed by the Sir2 family of NAD-dependent deacetylases.
-
-
-
-
24
-
-
34447342303
-
-
note
-
2 restraint. This model was used for validation docking of NAD. When binding to INH-NADH adducts, Phe149 changes position to accommodate the adduct. The protein was frozen except for residues 149, 150, and 158, and a torsion search was performed to identify a low-energy conformation of Phe149 similar to that seen in the adduct X-ray structure (PDB entry 1ZID). This model was used for docking adducts, with Phe149 and the adduct unrestrained and the remainder of the protein frozen. MCMM/LMCS conformational searching of adducts was performed in blocks of 10,000 steps until (a) no new structures within 5 kcal/mol of the global minimum were found and (b) the rate of finding new structures within 10 kcal/mol of the global minimum decreased at least 10-fold relative to the first block of 10,000 steps. All searches converged after 40,000 or fewer steps. Minimizations were performed to a gradient of 0.05 kJ/mol-Å. RMS errors for the adducts were determined after superimposing PDB entry 1ZID on the minimized model. The RMS error for 3 was determined without considering the carbonyl oxygen of the INH/NAD adduct, since this atom has no counterpart in 3.
-
-
-
-
25
-
-
0028988237
-
-
Dessen A., Quemard A., Blanchard J.S., Jacobs Jr. W.R., and Sacchettini J.C. Science 267 (1995) 1638
-
(1995)
Science
, vol.267
, pp. 1638
-
-
Dessen, A.1
Quemard, A.2
Blanchard, J.S.3
Jacobs Jr., W.R.4
Sacchettini, J.C.5
-
26
-
-
0029894336
-
-
Zatorski A., Watanabe K.A., Carr S.F., Goldstein B.M., and Pankiewicz K.W. J. Med. Chem. 39 (1996) 2422
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2422
-
-
Zatorski, A.1
Watanabe, K.A.2
Carr, S.F.3
Goldstein, B.M.4
Pankiewicz, K.W.5
-
27
-
-
0030907934
-
-
Pankiewicz K.W., Lesiak K., Zatorski A., Goldstein B.M., Carr S.F., Sochacki M., Majumdar A., Seidman M., and Watanabe K.A. J. Med. Chem. 40 (1997) 1287
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1287
-
-
Pankiewicz, K.W.1
Lesiak, K.2
Zatorski, A.3
Goldstein, B.M.4
Carr, S.F.5
Sochacki, M.6
Majumdar, A.7
Seidman, M.8
Watanabe, K.A.9
-
28
-
-
33847071932
-
-
Bonnac L., Chen L., Pathak R., Gao G., Ming Q., Bennett E., Felczak K., Kullberg M., Patterson S.E., Mazzola F., Magni G., and Pankiewicz K.W. Bioorg. Med. Chem. Lett. 17 (2007) 1512
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 1512
-
-
Bonnac, L.1
Chen, L.2
Pathak, R.3
Gao, G.4
Ming, Q.5
Bennett, E.6
Felczak, K.7
Kullberg, M.8
Patterson, S.E.9
Mazzola, F.10
Magni, G.11
Pankiewicz, K.W.12
-
31
-
-
34447336155
-
-
note
-
- 753.1401, found 753.1388.
-
-
-
-
32
-
-
34447335109
-
-
note
-
50).
-
-
-
-
33
-
-
0037204010
-
-
Pankiewicz K.W., Lesiak-Watanabe K.B., Watanabe K.A., Patterson S.E., Jayaram H.N., Yalowitz J.A., Miller M.D., Seidman M., Majumdar A., Prehna G., and Goldstein B.M. J. Med. Chem. 45 (2002) 703
-
(2002)
J. Med. Chem.
, vol.45
, pp. 703
-
-
Pankiewicz, K.W.1
Lesiak-Watanabe, K.B.2
Watanabe, K.A.3
Patterson, S.E.4
Jayaram, H.N.5
Yalowitz, J.A.6
Miller, M.D.7
Seidman, M.8
Majumdar, A.9
Prehna, G.10
Goldstein, B.M.11
-
34
-
-
1842431902
-
-
Pankiewicz K.W., Patterson S.E., Black P.L., Jayaram H.N., Risal D., Goldstein B.M., Stuyver L.J., and Schinazi R.F. Curr. Med. Chem. 11 (2004) 887
-
(2004)
Curr. Med. Chem.
, vol.11
, pp. 887
-
-
Pankiewicz, K.W.1
Patterson, S.E.2
Black, P.L.3
Jayaram, H.N.4
Risal, D.5
Goldstein, B.M.6
Stuyver, L.J.7
Schinazi, R.F.8
|