-
1
-
-
0035964342
-
Electrostatics of nanosystems: application to microtubules and the ribosome
-
Baker N.A., Sept D., Joseph S., Holst M.J., McCammon J.A. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 2001, 98:10037-10041.
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
2
-
-
51149120354
-
Synthesis and biological evaluation of NAS-21 and NAS-91 analogues as potential inhibitors of the mycobacterial FAS-II dehydratase enzyme Rv0636
-
Bhowruth V., Brown A.K., Besra G.S. Synthesis and biological evaluation of NAS-21 and NAS-91 analogues as potential inhibitors of the mycobacterial FAS-II dehydratase enzyme Rv0636. Microbiology 2008, 154:1866-1875.
-
(2008)
Microbiology
, vol.154
, pp. 1866-1875
-
-
Bhowruth, V.1
Brown, A.K.2
Besra, G.S.3
-
3
-
-
0014199095
-
Beta-hydroxydecanoyl thioester dehydrase II. Mode of action
-
Brock D.J., Kass L.R., Bloch K. Beta-hydroxydecanoyl thioester dehydrase II. Mode of action. J. Biol. Chem. 1967, 242:4432-4440.
-
(1967)
J. Biol. Chem.
, vol.242
, pp. 4432-4440
-
-
Brock, D.J.1
Kass, L.R.2
Bloch, K.3
-
4
-
-
0001679473
-
ALIGN: a program to superimpose protein coordinates accounting for insertions and deletions
-
Cohen G.H. ALIGN: a program to superimpose protein coordinates accounting for insertions and deletions. J. Appl. Crystallogr. 1997, 30:1160-1161.
-
(1997)
J. Appl. Crystallogr.
, vol.30
, pp. 1160-1161
-
-
Cohen, G.H.1
-
5
-
-
0028103275
-
-
Collaborative Computational Project Number 4. The CCP4 suite: programs for protein crystallography. Acta Crystallogr. D50
-
Collaborative Computational Project Number 4, 1994. The CCP4 suite: programs for protein crystallography. Acta Crystallogr. D50, 760-763.
-
(1994)
, pp. 760-763
-
-
-
6
-
-
13244267005
-
The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases
-
Dillon S.C., Bateman A. The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases. BMC Bioinformatics 2004, 5:109.
-
(2004)
BMC Bioinformatics
, vol.5
, pp. 109
-
-
Dillon, S.C.1
Bateman, A.2
-
7
-
-
77949535720
-
Features and development of Coot
-
Emsley P., Lohkamp B., Scott W.G., Cowtan K. Features and development of Coot. Acta Crystallogr. 2010, D66:486-501.
-
(2010)
Acta Crystallogr.
, vol.D66
, pp. 486-501
-
-
Emsley, P.1
Lohkamp, B.2
Scott, W.G.3
Cowtan, K.4
-
8
-
-
49149147973
-
Interactive partial equalization of orbital electronegativity - a rapid access to atomic charges
-
Gasteiger J., Marsili M. Interactive partial equalization of orbital electronegativity - a rapid access to atomic charges. Tetrahedron 1980, 36:3219-3228.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
-
9
-
-
0043123208
-
ESPript/ENDscript: extracting and rendering sequence and 3D information from atomic structures of proteins
-
Gouet P., Robert X., Courcelle E. ESPript/ENDscript: extracting and rendering sequence and 3D information from atomic structures of proteins. Nucleic Acids Res. 2003, 31:3320-3323.
-
(2003)
Nucleic Acids Res.
, vol.31
, pp. 3320-3323
-
-
Gouet, P.1
Robert, X.2
Courcelle, E.3
-
10
-
-
40549088222
-
Antimycobacterial activity and mechanism of action of NAS-91 antimicrob
-
Gratraud P., Surolia N., Besra G.S., Surolia A., Kremer L. Antimycobacterial activity and mechanism of action of NAS-91 antimicrob. Agents Chemother. 2008, 52:1162-1166.
-
(2008)
Agents Chemother.
, vol.52
, pp. 1162-1166
-
-
Gratraud, P.1
Surolia, N.2
Besra, G.S.3
Surolia, A.4
Kremer, L.5
-
11
-
-
65249105921
-
Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination
-
He L., Zhang L., Liu X., Li X., Zheng M., et al. Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J. Med. Chem. 2009, 52:2465-2481.
-
(2009)
J. Med. Chem.
, vol.52
, pp. 2465-2481
-
-
He, L.1
Zhang, L.2
Liu, X.3
Li, X.4
Zheng, M.5
-
12
-
-
0029926496
-
Roles of the FabA and FabZ beta-hydroxyacyl-acyl carrier protein dehydratases in Escherichia coli fatty acid biosynthesis
-
Heath R.J., Rock C.O. Roles of the FabA and FabZ beta-hydroxyacyl-acyl carrier protein dehydratases in Escherichia coli fatty acid biosynthesis. J. Biol. Chem. 1996, 271:27795-27801.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 27795-27801
-
-
Heath, R.J.1
Rock, C.O.2
-
13
-
-
57649229060
-
HOLLOW: generating accurate representations of channel and interior surfaces in molecular structures
-
Ho B.K., Gruswitz F. HOLLOW: generating accurate representations of channel and interior surfaces in molecular structures. BMC Struct. Biol. 2008, 8:49.
-
(2008)
BMC Struct. Biol.
, vol.8
, pp. 49
-
-
Ho, B.K.1
Gruswitz, F.2
-
14
-
-
0030590426
-
How good is fluorine as a hydrogen bond acceptor?
-
Howard J.A.K., Hoy V.J., O'Hagan D., Smith G.T. How good is fluorine as a hydrogen bond acceptor?. Tetrahedron 1996, 52:12613-12622.
-
(1996)
Tetrahedron
, vol.52
, pp. 12613-12622
-
-
Howard, J.A.K.1
Hoy, V.J.2
O'Hagan, D.3
Smith, G.T.4
-
15
-
-
33947726234
-
Grid-based hydrogen bond potentials with improved directionality
-
Huey R., Goodsell D.S., Morris G.M., Olson A.J. Grid-based hydrogen bond potentials with improved directionality. Lett. Drug Des. Discov. 2004, 1:178-183.
-
(2004)
Lett. Drug Des. Discov.
, vol.1
, pp. 178-183
-
-
Huey, R.1
Goodsell, D.S.2
Morris, G.M.3
Olson, A.J.4
-
16
-
-
33947716119
-
A semiempirical free energy force field with charge-based desolvation
-
Huey R., Morris G.M., Olson A.J., Goodsell D.S. A semiempirical free energy force field with charge-based desolvation. J. Comput. Chem. 2007, 28:1145-1152.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 1145-1152
-
-
Huey, R.1
Morris, G.M.2
Olson, A.J.3
Goodsell, D.S.4
-
17
-
-
10644295401
-
The structure of (3R)-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Pseudomonas aeruginosa
-
Kimber M.S., Martin F., Lu Y., Houston S., Vedadi M., et al. The structure of (3R)-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Pseudomonas aeruginosa. J. Biol. Chem. 2004, 279:52593-52602.
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 52593-52602
-
-
Kimber, M.S.1
Martin, F.2
Lu, Y.3
Houston, S.4
Vedadi, M.5
-
18
-
-
60349119365
-
Campylobacter jejuni fatty acid synthase II: structural and functional analysis of beta-hydroxyacyl-ACP dehydratase (FabZ)
-
Kirkpatrick A.S., Yokoyama T., Choi K.J., Yeo H.J. Campylobacter jejuni fatty acid synthase II: structural and functional analysis of beta-hydroxyacyl-ACP dehydratase (FabZ). Biochem. Biophys. Res. Commun. 2009, 380:407-412.
-
(2009)
Biochem. Biophys. Res. Commun.
, vol.380
, pp. 407-412
-
-
Kirkpatrick, A.S.1
Yokoyama, T.2
Choi, K.J.3
Yeo, H.J.4
-
19
-
-
22544476228
-
The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum
-
Kostrewa D., Winkler F.K., Folkers G., Scapozza L., Perozzo R. The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum. Protein Sci. 2005, 14:1570-1580.
-
(2005)
Protein Sci.
, vol.14
, pp. 1570-1580
-
-
Kostrewa, D.1
Winkler, F.K.2
Folkers, G.3
Scapozza, L.4
Perozzo, R.5
-
20
-
-
84860393504
-
Biochemical and molecular insights into β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Plasmodium falciparum
-
Ph.D. Thesis, Indian Institute of Science.
-
Kumar, S., 2006. Biochemical and molecular insights into β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Plasmodium falciparum. Ph.D. Thesis, Indian Institute of Science.
-
(2006)
-
-
Kumar, S.1
-
21
-
-
0000243829
-
PROCHECK: a program to check the stereochemical quality of protein structures
-
Laskowski R.A., McArthur M.W., Moss D.S., Thornton J.M. PROCHECK: a program to check the stereochemical quality of protein structures. J. Appl. Crystallogr. 1993, 26:283-291.
-
(1993)
J. Appl. Crystallogr.
, vol.26
, pp. 283-291
-
-
Laskowski, R.A.1
McArthur, M.W.2
Moss, D.S.3
Thornton, J.M.4
-
22
-
-
0030584655
-
Structure of a dehydratase-isomerase from the bacterial pathway for biosynthesis of unsaturated fatty acids: two catalytic activities in one active site
-
Leesong M., Henderson B.S., Gillig J.R., Schwab J.M., Smith J.L. Structure of a dehydratase-isomerase from the bacterial pathway for biosynthesis of unsaturated fatty acids: two catalytic activities in one active site. Structure 1996, 4:253-264.
-
(1996)
Structure
, vol.4
, pp. 253-264
-
-
Leesong, M.1
Henderson, B.S.2
Gillig, J.R.3
Schwab, J.M.4
Smith, J.L.5
-
23
-
-
57049083416
-
The multienzyme architecture of eukaryotic fatty acid synthases
-
Leibundgut M., Maier T., Jenni S., Ban N. The multienzyme architecture of eukaryotic fatty acid synthases. Curr. Opin. Struct. Biol. 2008, 18:714-725.
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 714-725
-
-
Leibundgut, M.1
Maier, T.2
Jenni, S.3
Ban, N.4
-
24
-
-
0003076963
-
-
Recent changes to the MOSFLM package for processing film and image plate data. Jnt. CCP4/ESF-EACBM Newsl. Protein Crystallogr.
-
Leslie, A.G.W., 1992. Recent changes to the MOSFLM package for processing film and image plate data. Jnt. CCP4/ESF-EACBM Newsl. Protein Crystallogr. 26, 27-33.
-
(1992)
, vol.26
, pp. 27-33
-
-
Leslie, A.G.W.1
-
25
-
-
77953581267
-
X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
-
Maity K., Bhargav S.P., Sankaran B., Surolia N., Surolia A., et al. X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition. IUBMB Life 2010, 62:467-476.
-
(2010)
IUBMB Life
, vol.62
, pp. 467-476
-
-
Maity, K.1
Bhargav, S.P.2
Sankaran, B.3
Surolia, N.4
Surolia, A.5
-
26
-
-
0037160079
-
A new mechanism for anaerobic unsaturated fatty acid formation in Streptococcus pneumoniae
-
Marrakchi H., Choi K.H., Rock C.O. A new mechanism for anaerobic unsaturated fatty acid formation in Streptococcus pneumoniae. J. Biol. Chem. 2002, 277:44809-44816.
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 44809-44816
-
-
Marrakchi, H.1
Choi, K.H.2
Rock, C.O.3
-
27
-
-
0026332547
-
Electrostatic effects in proteins: comparison of dielectric and charge models
-
Mehler E.L., Solmajer T. Electrostatic effects in proteins: comparison of dielectric and charge models. Protein Eng. 1991, 4:903-910.
-
(1991)
Protein Eng.
, vol.4
, pp. 903-910
-
-
Mehler, E.L.1
Solmajer, T.2
-
28
-
-
0030924992
-
Refinement of macromolecular structures by the maximum-likelihood method
-
Murshudov G.N., Vagin A.A., Dodson E.J. Refinement of macromolecular structures by the maximum-likelihood method. Acta Crystallogr. 1997, D53:240-255.
-
(1997)
Acta Crystallogr.
, vol.D53
, pp. 240-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Dodson, E.J.3
-
29
-
-
17844404530
-
Amodiaquine alone, amodiaquine+sulfadoxine-pyrimethamine, amodiaquine+artesunate, and artemether-lumefantrine for outpatient treatment of malaria in Tanzanian children: a four-arm randomised effectiveness trial
-
Mutabingwa T.K., Anthony D., Heller A., Hallett R., Ahmed J., et al. Amodiaquine alone, amodiaquine+sulfadoxine-pyrimethamine, amodiaquine+artesunate, and artemether-lumefantrine for outpatient treatment of malaria in Tanzanian children: a four-arm randomised effectiveness trial. Lancet 2005, 365:1474-1480.
-
(2005)
Lancet
, vol.365
, pp. 1474-1480
-
-
Mutabingwa, T.K.1
Anthony, D.2
Heller, A.3
Hallett, R.4
Ahmed, J.5
-
30
-
-
67649535200
-
Analysis of proteins with the 'hot dog' fold: prediction of function and identification of catalytic residues of hypothetical proteins
-
Pidugu L.S., Maity K., Ramaswamy K., Surolia N., Suguna K. Analysis of proteins with the 'hot dog' fold: prediction of function and identification of catalytic residues of hypothetical proteins. BMC Struct. Biol. 2009, 9:37.
-
(2009)
BMC Struct. Biol.
, vol.9
, pp. 37
-
-
Pidugu, L.S.1
Maity, K.2
Ramaswamy, K.3
Surolia, N.4
Suguna, K.5
-
31
-
-
0030581109
-
Escherichia coli as a model for the regulation of dissociable (type II) fatty acid biosynthesis
-
Rock C.O., Cronan J.E. Escherichia coli as a model for the regulation of dissociable (type II) fatty acid biosynthesis. Biochim. Biophys. Acta 1996, 1302:1-16.
-
(1996)
Biochim. Biophys. Acta
, vol.1302
, pp. 1-16
-
-
Rock, C.O.1
Cronan, J.E.2
-
32
-
-
0242580787
-
Identification, characterization, and inhibition of Plasmodium falciparum beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ)
-
Sharma S.K., Kapoor M., Ramya T.N., Kumar S., Kumar G., et al. Identification, characterization, and inhibition of Plasmodium falciparum beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ). J. Biol. Chem. 2003, 278:45661-45671.
-
(2003)
J. Biol. Chem.
, vol.278
, pp. 45661-45671
-
-
Sharma, S.K.1
Kapoor, M.2
Ramya, T.N.3
Kumar, S.4
Kumar, G.5
-
33
-
-
33847401359
-
Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR)
-
Sharma S.K., Parasuraman P., Kumar G., Surolia N., Surolia A. Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J. Med. Chem. 2007, 50:765-775.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 765-775
-
-
Sharma, S.K.1
Parasuraman, P.2
Kumar, G.3
Surolia, N.4
Surolia, A.5
-
34
-
-
70350752494
-
Triclosan inhibit the growth of the late liver-stage of Plasmodium
-
Singh A.P., Surolia N., Surolia A. Triclosan inhibit the growth of the late liver-stage of Plasmodium. IUBMB Life 2009, 61:923-928.
-
(2009)
IUBMB Life
, vol.61
, pp. 923-928
-
-
Singh, A.P.1
Surolia, N.2
Surolia, A.3
-
36
-
-
9144226932
-
'FAS't inhibition of malaria
-
Surolia A., Ramya T.N., Ramya V., Surolia N. 'FAS't inhibition of malaria. Biochem. J. 2004, 383:401-412.
-
(2004)
Biochem. J.
, vol.383
, pp. 401-412
-
-
Surolia, A.1
Ramya, T.N.2
Ramya, V.3
Surolia, N.4
-
37
-
-
0035126479
-
Triclosan offers protection against blood stages of malaria by inhibiting enoyl-ACP reductase of Plasmodium falciparum
-
Surolia N., Surolia A. Triclosan offers protection against blood stages of malaria by inhibiting enoyl-ACP reductase of Plasmodium falciparum. Nat. Med. 2001, 7:167-173.
-
(2001)
Nat. Med.
, vol.7
, pp. 167-173
-
-
Surolia, N.1
Surolia, A.2
-
38
-
-
33646203969
-
Crystal structure of dimeric FabZ of Plasmodium falciparum reveals conformational switching to active hexamers by peptide flips
-
Swarnamukhi P.L., Sharma S.K., Bajaj P., Surolia N., Surolia A., et al. Crystal structure of dimeric FabZ of Plasmodium falciparum reveals conformational switching to active hexamers by peptide flips. FEBS Lett. 2006, 580:2653-2660.
-
(2006)
FEBS Lett.
, vol.580
, pp. 2653-2660
-
-
Swarnamukhi, P.L.1
Sharma, S.K.2
Bajaj, P.3
Surolia, N.4
Surolia, A.5
-
39
-
-
33744819176
-
Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids
-
Tasdemir D., Lack G., Brun R., Ruedi P., Scapozza L., et al. Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J. Med. Chem. 2006, 49:3345-3353.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 3345-3353
-
-
Tasdemir, D.1
Lack, G.2
Brun, R.3
Ruedi, P.4
Scapozza, L.5
-
40
-
-
0027968068
-
CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
-
Thompson J.D., Higgins D.G., Gibson T.J. CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res. 1994, 22:4673-4680.
-
(1994)
Nucleic Acids Res.
, vol.22
, pp. 4673-4680
-
-
Thompson, J.D.1
Higgins, D.G.2
Gibson, T.J.3
-
41
-
-
14744295748
-
The plastid-derived organelle of protozoan human parasites as a target of established and emerging drugs
-
Wiesner J., Seeber F. The plastid-derived organelle of protozoan human parasites as a target of established and emerging drugs. Expert Opin. Ther. Targets 2005, 9:23-44.
-
(2005)
Expert Opin. Ther. Targets
, vol.9
, pp. 23-44
-
-
Wiesner, J.1
Seeber, F.2
-
42
-
-
77249123257
-
World Health Organization
-
World Health Organization, Geneva, Switzerland.
-
World Health Organization, 2008. WHO World Malaria Report. World Health Organization, Geneva, Switzerland.
-
(2008)
WHO World Malaria Report
-
-
-
43
-
-
55549098939
-
Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
-
Zhang L., Kong Y., Wu D., Zhang H., Wu J., et al. Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay. Protein Sci. 2008, 17:1971-1978.
-
(2008)
Protein Sci.
, vol.17
, pp. 1971-1978
-
-
Zhang, L.1
Kong, Y.2
Wu, D.3
Zhang, H.4
Wu, J.5
-
44
-
-
41949086428
-
Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ)
-
Zhang L., Liu W., Hu T., Du L., Luo C., et al. Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ). J. Biol. Chem. 2008, 283:5370-5379.
-
(2008)
J. Biol. Chem.
, vol.283
, pp. 5370-5379
-
-
Zhang, L.1
Liu, W.2
Hu, T.3
Du, L.4
Luo, C.5
|