-
1
-
-
14944375311
-
New targets and screening approaches in antimicrobial drug discovery
-
Brown ED, Wright GD. New targets and screening approaches in antimicrobial drug discovery. Chem Rev 2005;309:759-774.
-
(2005)
Chem Rev
, vol.309
, pp. 759-774
-
-
Brown, E.D.1
Wright, G.D.2
-
2
-
-
33644558385
-
Does the cell wall of bacteria remain a viable source of targets for novel antibiotics?
-
Silver LL. Does the cell wall of bacteria remain a viable source of targets for novel antibiotics? Biochem Pharmacol 2006;71:996-1005.
-
(2006)
Biochem Pharmacol
, vol.71
, pp. 996-1005
-
-
Silver, L.L.1
-
3
-
-
0034762821
-
Recent advances in the formation of the bacterial peptidoglycan monomer unit
-
van Heijenoort J. Recent advances in the formation of the bacterial peptidoglycan monomer unit. Nat Prod Rep 2001;18:503-519.
-
(2001)
Nat Prod Rep
, vol.18
, pp. 503-519
-
-
van Heijenoort, J.1
-
4
-
-
0037223505
-
Structure and function of the Mur enzymes: Development of novel Inhibitors
-
Zoeiby AE, Sanschagrin F, Levesque RC. Structure and function of the Mur enzymes: development of novel Inhibitors. Mol Microbiol 2003;47:1-12.
-
(2003)
Mol Microbiol
, vol.47
, pp. 1-12
-
-
Zoeiby, A.E.1
Sanschagrin, F.2
Levesque, R.C.3
-
5
-
-
0030927105
-
Crystal structure of UDP-N-acetylmuramoyl-L-alanine: D-glutamate ligase from Escherichia coli
-
Bertrand JA, Auger G, Fanchon E, Martin L, Blanot D, van Heijenoort J, Dideberg O. Crystal structure of UDP-N-acetylmuramoyl-L-alanine: D-glutamate ligase from Escherichia coli. EMBO J 1997;16:3416-3425.
-
(1997)
EMBO J
, vol.16
, pp. 3416-3425
-
-
Bertrand, J.A.1
Auger, G.2
Fanchon, E.3
Martin, L.4
Blanot, D.5
van Heijenoort, J.6
Dideberg, O.7
-
6
-
-
0033546272
-
Determination of the MurD mechanism through crystallographic analysis of enzyme complexes
-
Bertrand JA, Auger G, Martin L, Fanchon E, Blanot D, Le Beller D, van Heijenoort J, Dideberg O. Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J Mol Biol 1999;289:579-590.
-
(1999)
J Mol Biol
, vol.289
, pp. 579-590
-
-
Bertrand, J.A.1
Auger, G.2
Martin, L.3
Fanchon, E.4
Blanot, D.5
Le Beller, D.6
van Heijenoort, J.7
Dideberg, O.8
-
7
-
-
0034283162
-
Open structures of MurD: Domain movements and structural similarities with folylpolyglutamate synthetase
-
Bertrand JA, Fanchon E, Martin L, Chantalat L, Auger G, Blanot D, van Heijenoort J, Dideberg O. "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J Mol Biol 2000;301:1257-1266.
-
(2000)
J Mol Biol
, vol.301
, pp. 1257-1266
-
-
Bertrand, J.A.1
Fanchon, E.2
Martin, L.3
Chantalat, L.4
Auger, G.5
Blanot, D.6
van Heijenoort, J.7
Dideberg, O.8
-
8
-
-
0030471790
-
Kinetic mechanism of the Escherichia coli UDPMurNAc-tripeptide D-alanyl-D- alanine-adding enzyme: Use of a glutathione S-transferase fusion
-
Anderson MS, Eveland SS, Onishi HR, Pompliano DL. Kinetic mechanism of the Escherichia coli UDPMurNAc-tripeptide D-alanyl-D- alanine-adding enzyme: use of a glutathione S-transferase fusion. Biochemistry 1996;35:16264-16269.
-
(1996)
Biochemistry
, vol.35
, pp. 16264-16269
-
-
Anderson, M.S.1
Eveland, S.S.2
Onishi, H.R.3
Pompliano, D.L.4
-
9
-
-
0030960337
-
Evaluation of the kinetic mechanism of Escherichia coli uridine diphosphate-N- acetylmuramate:L-alanine ligase
-
Emanuele JJ Jr, Jin H, Yanchunas J Jr, Villafranca JJ. Evaluation of the kinetic mechanism of Escherichia coli uridine diphosphate-N- acetylmuramate:L-alanine ligase. Biochemistry 1997;36:7264-7271.
-
(1997)
Biochemistry
, vol.36
, pp. 7264-7271
-
-
Emanuele Jr, J.J.1
Jin, H.2
Yanchunas Jr, J.3
Villafranca, J.J.4
-
10
-
-
0033592452
-
Role of the ortholog and paralog amino acid invariants in the active site of the UDP-MurNAc-L- alanine:D-glutamate ligase (MurD)
-
Bouhss A, Dementin S, Parquet C, Mengin-Lecreulx D, Bertrand JA, Le Beller D, Dideberg O, van Heijenoort J, Blanot D. Role of the ortholog and paralog amino acid invariants in the active site of the UDP-MurNAc-L- alanine:D-glutamate ligase (MurD). Biochemistry 1999;38:12240-12247.
-
(1999)
Biochemistry
, vol.38
, pp. 12240-12247
-
-
Bouhss, A.1
Dementin, S.2
Parquet, C.3
Mengin-Lecreulx, D.4
Bertrand, J.A.5
Le Beller, D.6
Dideberg, O.7
van Heijenoort, J.8
Blanot, D.9
-
11
-
-
0025001262
-
Homology among MurC, MurD, MurE and MurF proteins in Escherichia coli and that between E. coli MurG and a possible MurG protein in Bacillus subtilis
-
Ikeda M, Wachi M, Jung HK, Ishino F, Matsunashi M. Homology among MurC, MurD, MurE and MurF proteins in Escherichia coli and that between E. coli MurG and a possible MurG protein in Bacillus subtilis. J Gen Appl Microbiol 1990;36:179-187.
-
(1990)
J Gen Appl Microbiol
, vol.36
, pp. 179-187
-
-
Ikeda, M.1
Wachi, M.2
Jung, H.K.3
Ishino, F.4
Matsunashi, M.5
-
12
-
-
0034423412
-
Crystal structure of Escherichia coli UDPMurNAc-tripeptide-D-alanyl- D-alanine-adding enzyme (MurF) at 2.3A resolution
-
Yan Y, Munshi S, Leiting B, Anderson MS, Chrzas J, Chen Z. Crystal structure of Escherichia coli UDPMurNAc-tripeptide-D-alanyl- D-alanine-adding enzyme (MurF) at 2.3A resolution. J Mol Biol 2000;304:435-445.
-
(2000)
J Mol Biol
, vol.304
, pp. 435-445
-
-
Yan, Y.1
Munshi, S.2
Leiting, B.3
Anderson, M.S.4
Chrzas, J.5
Chen, Z.6
-
13
-
-
28844504713
-
Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure
-
Longenecker KL, Stamper GF, Hajduk PJ, Fry EH, Jakob CG, Harlan JE, Edalji R, Bartley DM, Walter KA, Solomon LR, Holzman TF, Gu YG, Lerner CG, Beutel BA, Stoll VS. Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure. Protein Sci 2005;14:3039-3047.
-
(2005)
Protein Sci
, vol.14
, pp. 3039-3047
-
-
Longenecker, K.L.1
Stamper, G.F.2
Hajduk, P.J.3
Fry, E.H.4
Jakob, C.G.5
Harlan, J.E.6
Edalji, R.7
Bartley, D.M.8
Walter, K.A.9
Solomon, L.R.10
Holzman, T.F.11
Gu, Y.G.12
Lerner, C.G.13
Beutel, B.A.14
Stoll, V.S.15
-
14
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
Karplus M, McCammon JA. Molecular dynamics simulations of biomolecules. Nat Struct Biol 2002;9:646-652.
-
(2002)
Nat Struct Biol
, vol.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
15
-
-
18744371588
-
Molecular dynamics and protein function
-
Karplus M, Kuriyan J. Molecular dynamics and protein function. Proc Natl Acad Sci USA 2005;102:6679-6685.
-
(2005)
Proc Natl Acad Sci USA
, vol.102
, pp. 6679-6685
-
-
Karplus, M.1
Kuriyan, J.2
-
16
-
-
33646943202
-
Molecular dynamics: Survey of methods for simulating the activity of proteins
-
Adcock SA, McCammon JA. Molecular dynamics: survey of methods for simulating the activity of proteins. Chem Rev 2006;106:1589-1615.
-
(2006)
Chem Rev
, vol.106
, pp. 1589-1615
-
-
Adcock, S.A.1
McCammon, J.A.2
-
17
-
-
0028455053
-
Targeted molecular dynamics: A new approach for searching pathways of conformational transitions
-
Schlitter J, Engels M, Krüger P. Targeted molecular dynamics: a new approach for searching pathways of conformational transitions. Mol Graph 1994;12:84-89.
-
(1994)
Mol Graph
, vol.12
, pp. 84-89
-
-
Schlitter, J.1
Engels, M.2
Krüger, P.3
-
18
-
-
0027794972
-
Targeted molecular dynamics simulation of conformational change: Application to the TR transition in insulin
-
Schlitter J, Engels M, Kruger P, Jacoby EU, Wollmer A. Targeted molecular dynamics simulation of conformational change: application to the TR transition in insulin. Mol Simul 1993;10:291-308.
-
(1993)
Mol Simul
, vol.10
, pp. 291-308
-
-
Schlitter, J.1
Engels, M.2
Kruger, P.3
Jacoby, E.U.4
Wollmer, A.5
-
19
-
-
0035085863
-
Extending the capabilities of targeted molecular dynamics: Simulation of a large conformational transition in plasminogen activator inhibitor 1
-
Krüger P, Verheyden S, Declerck PJ, Engelborghs Y. Extending the capabilities of targeted molecular dynamics: simulation of a large conformational transition in plasminogen activator inhibitor 1. Protein Sci 2001;10:798-808.
-
(2001)
Protein Sci
, vol.10
, pp. 798-808
-
-
Krüger, P.1
Verheyden, S.2
Declerck, P.J.3
Engelborghs, Y.4
-
20
-
-
27644511890
-
Binding of 5′-GMP to the GluR2 AMPA receptor: Insight from targeted molecular dynamics simulations
-
Mendieta J, Gago F, Ramírez G. Binding of 5′-GMP to the GluR2 AMPA receptor: insight from targeted molecular dynamics simulations. Biochemistry 2005;44:14470-14476.
-
(2005)
Biochemistry
, vol.44
, pp. 14470-14476
-
-
Mendieta, J.1
Gago, F.2
Ramírez, G.3
-
21
-
-
33644619833
-
Targeted molecular dynamics simulation studies of calcium binding and conformational change in the C-terminal half of gelsolin
-
Lee HS, Robinson RC, Joo CH, Lee H, Kim YK, Choe H. Targeted molecular dynamics simulation studies of calcium binding and conformational change in the C-terminal half of gelsolin. Biochem Biophys Res Commun 2006;342:702-709.
-
(2006)
Biochem Biophys Res Commun
, vol.342
, pp. 702-709
-
-
Lee, H.S.1
Robinson, R.C.2
Joo, C.H.3
Lee, H.4
Kim, Y.K.5
Choe, H.6
-
22
-
-
1842690027
-
Improving the performance of molecular dynamics simulations on parallel clusters
-
Borištnik U, Hodošček M, Janežič D. Improving the performance of molecular dynamics simulations on parallel clusters. J Chem Inf Comput Sci 2004;44:359-364.
-
(2004)
J Chem Inf Comput Sci
, vol.44
, pp. 359-364
-
-
Borištnik, U.1
Hodošček, M.2
Janežič, D.3
-
23
-
-
84986512474
-
-
Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathen S, Karplus M. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 1983;4:187-217.
-
Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathen S, Karplus M. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 1983;4:187-217.
-
-
-
-
24
-
-
0035166706
-
Evidence of a functional requirement for a carbamoylated lysine residue in MurD, MurE and MurF synthetases as established by chemical rescue experiments
-
Dementin S, Bouhss A, Auger G, Parquet C, Mengin-Lecreulx D, Dideberg O, van Heijenoort J, Blanot D. Evidence of a functional requirement for a carbamoylated lysine residue in MurD, MurE and MurF synthetases as established by chemical rescue experiments. Eur J Biochem 2001;268:5800-5008.
-
(2001)
Eur J Biochem
, vol.268
, pp. 5800-5008
-
-
Dementin, S.1
Bouhss, A.2
Auger, G.3
Parquet, C.4
Mengin-Lecreulx, D.5
Dideberg, O.6
van Heijenoort, J.7
Blanot, D.8
-
25
-
-
0035815667
-
Crystal structure of UDP-N-acetylmuramoyl-L-alanyl- D-glutamate: Meso-diaminopimelate ligase from Escherichia coli
-
Gordon E, Flouret B, Chantalat L, van Heijenoort J, Mengin-Lecreulx D, Dideberg O. Crystal structure of UDP-N-acetylmuramoyl-L-alanyl- D-glutamate: meso-diaminopimelate ligase from Escherichia coli. J Biol Chem 2001;276:10999-11006.
-
(2001)
J Biol Chem
, vol.276
, pp. 10999-11006
-
-
Gordon, E.1
Flouret, B.2
Chantalat, L.3
van Heijenoort, J.4
Mengin-Lecreulx, D.5
Dideberg, O.6
-
26
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics Studies of proteins
-
MacKerell AD Jr, Bashford D, Bellott M, Dunbrack RL Jr, Evanseek JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FTK, Mattos C, Michnick S, Ngo T, Nguyen DT, Prodhom B, Reiher WE III, Roux B, Schlenkrich M, Smith JC, Stote R, Straub J, Watanabe M, Wiorkiewicz-Kuczera J, Yin D, Karplus M. All-atom empirical potential for molecular modeling and dynamics Studies of proteins. J Phys Chem B 1998;102:3586-3616.
-
(1998)
J Phys Chem B
, vol.102
, pp. 3586-3616
-
-
MacKerell Jr, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack Jr, R.L.4
Evanseek, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-McCarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher III, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
27
-
-
3142714765
-
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations
-
MacKerell AD Jr, Feig M, Brooks CL III. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. J Comput Chem 2004;25:1400-1415.
-
(2004)
J Comput Chem
, vol.25
, pp. 1400-1415
-
-
MacKerell Jr, A.D.1
Feig, M.2
Brooks III, C.L.3
-
28
-
-
0348244547
-
All-atom empirical force field for nucleic acids. I. Parameter optimization based on small molecule and condensed phase macromolecular target data
-
Foloppe N, MacKerell AD Jr. All-atom empirical force field for nucleic acids. I. Parameter optimization based on small molecule and condensed phase macromolecular target data. J Comput Chem 2004;25:86-104.
-
(2004)
J Comput Chem
, vol.25
, pp. 86-104
-
-
Foloppe, N.1
MacKerell Jr, A.D.2
-
29
-
-
0000214231
-
All-atom empirical force field for nucleic acids. II. Application to molecular dynamics simulations of DNA and RNA in solution
-
MacKerell AD Jr, Banavali NK. All-atom empirical force field for nucleic acids. II. Application to molecular dynamics simulations of DNA and RNA in solution. J Comput Chem 2004;25:105-120.
-
(2004)
J Comput Chem
, vol.25
, pp. 105-120
-
-
MacKerell Jr, A.D.1
Banavali, N.K.2
-
30
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML. Comparison of simple potential functions for simulating liquid water. J Chem Phys 1983;79:926-935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
31
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essman U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen A. A smooth particle mesh Ewald method. J Chem Phys 1995;103:8577-8593.
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8593
-
-
Essman, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, A.6
-
32
-
-
0141956090
-
Generalized born model with a simple smoothing function
-
Im W, Lee MS, Brooks CL III. Generalized born model with a simple smoothing function. J Comput Chem 2003;24:1691-1702.
-
(2003)
J Comput Chem
, vol.24
, pp. 1691-1702
-
-
Im, W.1
Lee, M.S.2
Brooks III, C.L.3
-
33
-
-
0031167555
-
Atomic Born radii for continuum electrostatic calculations based on molecular dynamics free energy simulations
-
Nina M, Beglov D, Roux B. Atomic Born radii for continuum electrostatic calculations based on molecular dynamics free energy simulations. J Phys Chem B 1997;101:5239-5248.
-
(1997)
J Phys Chem B
, vol.101
, pp. 5239-5248
-
-
Nina, M.1
Beglov, D.2
Roux, B.3
-
35
-
-
0029619259
-
Knowledge-based protein secondary structure assignment
-
Frishman D, Argos P. Knowledge-based protein secondary structure assignment. Proteins: Struct Funct Genet 1995;23:566-579.
-
(1995)
Proteins: Struct Funct Genet
, vol.23
, pp. 566-579
-
-
Frishman, D.1
Argos, P.2
-
36
-
-
34249870188
-
-
http://www.gnuplot.info.
-
-
-
-
37
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
Torrie G, Valleau J. Nonphysical sampling distributions in Monte Carlo free-energy estimation: umbrella sampling. J Comput Phys 1997:23;187-199.
-
(1997)
J Comput Phys
, vol.23
, pp. 187-199
-
-
Torrie, G.1
Valleau, J.2
-
39
-
-
0038492584
-
Crystal structures of active fully assembled substrate- and product-bound complexes of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) from Haemophilus influenzae
-
Mol CD, Brooun A, Dougan DR, Hilgers MT, Tari LW, Wijnands RA, Knuth MW, McRee DE, Swanson J. Crystal structures of active fully assembled substrate- and product-bound complexes of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) from Haemophilus influenzae. J Bacterid 2003;185:4152-4162.
-
(2003)
J Bacterid
, vol.185
, pp. 4152-4162
-
-
Mol, C.D.1
Brooun, A.2
Dougan, D.R.3
Hilgers, M.T.4
Tari, L.W.5
Wijnands, R.A.6
Knuth, M.W.7
McRee, D.E.8
Swanson, J.9
-
40
-
-
0027917990
-
The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation
-
Kjeldgaard M, Nissen P, Thirup S, Nyborg J. The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation. Structure 1993;1:35-50.
-
(1993)
Structure
, vol.1
, pp. 35-50
-
-
Kjeldgaard, M.1
Nissen, P.2
Thirup, S.3
Nyborg, J.4
-
41
-
-
0025310575
-
Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: Implications for the mechanism of GTP hydrolysis
-
Pai EF, Krengel U, Petsko GA, Goody RS, Kabsch W, Wittinghofer A. Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis. EMBO J 1990;9:2351-2359.
-
(1990)
EMBO J
, vol.9
, pp. 2351-2359
-
-
Pai, E.F.1
Krengel, U.2
Petsko, G.A.3
Goody, R.S.4
Kabsch, W.5
Wittinghofer, A.6
-
42
-
-
27644446534
-
Viral and cellular RNA hehcases as antiviral targets
-
Kwong AD, Rao BG, Jeang KT. Viral and cellular RNA hehcases as antiviral targets. Nat Rev Drug Discov 2005;4:845-853.
-
(2005)
Nat Rev Drug Discov
, vol.4
, pp. 845-853
-
-
Kwong, A.D.1
Rao, B.G.2
Jeang, K.T.3
|