-
1
-
-
27744499156
-
Intrinsic dynamics of an enzyme underlies catalysis
-
Eisenmesser EZ, Millet O, Labeikovsky W, Korzhnev DM, Wolf-Watz M, et al. (2005) Intrinsic dynamics of an enzyme underlies catalysis. Nature 438: 117-121.
-
(2005)
Nature
, vol.438
, pp. 117-121
-
-
Eisenmesser, E.Z.1
Millet, O.2
Labeikovsky, W.3
Korzhnev, D.M.4
Wolf-Watz, M.5
-
2
-
-
0346220393
-
The role of dynamics in allosteric regulation
-
Kern D, Zuiderweg ERP, (2003) The role of dynamics in allosteric regulation. Curr Opin Struct Biol 13: 748-757.
-
(2003)
Curr Opin Struct Biol
, vol.13
, pp. 748-757
-
-
Kern, D.1
Zuiderweg, E.R.P.2
-
3
-
-
68149157248
-
The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways
-
del Sol A, Tsai C-J, Ma B, Nussinov R, (2009) The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways. Structure 17: 1042-1050.
-
(2009)
Structure
, vol.17
, pp. 1042-1050
-
-
del Sol, A.1
Tsai, C.-J.2
Ma, B.3
Nussinov, R.4
-
4
-
-
44949111351
-
Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins
-
Maragakis P, Lindorff-Larsen K, Eastwood MP, Dror R, Klepeis J, et al. (2008) Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins. J Phys Chem B 112(19): 6155-8.
-
(2008)
J Phys Chem B
, vol.112
, Issue.19
, pp. 6155-6158
-
-
Maragakis, P.1
Lindorff-Larsen, K.2
Eastwood, M.P.3
Dror, R.4
Klepeis, J.5
-
5
-
-
1542317796
-
How much backbone motion in ubiquitin is required to account for dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation?
-
Clore GM, Schwieters CD, (2004) How much backbone motion in ubiquitin is required to account for dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation? J Am Chem Soc 126: 2923-2938.
-
(2004)
J Am Chem Soc
, vol.126
, pp. 2923-2938
-
-
Clore, G.M.1
Schwieters, C.D.2
-
6
-
-
45849131354
-
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution
-
Lange OF, Lakomek N-A, Farès C, Schröder GF, Walter KFA, et al. (2008) Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 320: 1471-1475.
-
(2008)
Science
, vol.320
, pp. 1471-1475
-
-
Lange, O.F.1
Lakomek, N.-A.2
Farès, C.3
Schröder, G.F.4
Walter, K.F.A.5
-
7
-
-
79960044304
-
Weak Long-Range Correlated Motions in a Surface Patch of Ubiquitin Involved in Molecular Recognition
-
Fenwick RB, Esteban-Martín S, Richter B, Lee D, Walter KFA, et al. (2011) Weak Long-Range Correlated Motions in a Surface Patch of Ubiquitin Involved in Molecular Recognition. J Am Chem Soc 133: 10336-10339.
-
(2011)
J Am Chem Soc
, vol.133
, pp. 10336-10339
-
-
Fenwick, R.B.1
Esteban-Martín, S.2
Richter, B.3
Lee, D.4
Walter, K.F.A.5
-
8
-
-
4143079167
-
Amplitudes of protein backbone dynamics and correlated motions in a small alpha/beta protein: correspondence of dipolar coupling and heteronuclear relaxation measurements
-
Clore GM, Schwieters CD, (2004) Amplitudes of protein backbone dynamics and correlated motions in a small alpha/beta protein: correspondence of dipolar coupling and heteronuclear relaxation measurements. Biochemistry 43: 10678-10691.
-
(2004)
Biochemistry
, vol.43
, pp. 10678-10691
-
-
Clore, G.M.1
Schwieters, C.D.2
-
9
-
-
25444532318
-
Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings
-
Bouvignies G, Bernadó P, Meier S, Cho K, Grzesiek S, et al. (2005) Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings. Proc Natl Acad Sci U S A 102: 13885-13890.
-
(2005)
Proc Natl Acad Sci U S A
, vol.102
, pp. 13885-13890
-
-
Bouvignies, G.1
Bernadó, P.2
Meier, S.3
Cho, K.4
Grzesiek, S.5
-
10
-
-
67849133810
-
Toward an accurate determination of free energy landscapes in solution states of proteins
-
De Simone A, Richter B, Salvatella X, Vendruscolo M, (2009) Toward an accurate determination of free energy landscapes in solution states of proteins. J Am Chem Soc 131: 3810-3811.
-
(2009)
J Am Chem Soc
, vol.131
, pp. 3810-3811
-
-
De Simone, A.1
Richter, B.2
Salvatella, X.3
Vendruscolo, M.4
-
11
-
-
0030722243
-
Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium
-
Tjandra N, Bax A, (1997) Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium. Science 278: 1111-1114.
-
(1997)
Science
, vol.278
, pp. 1111-1114
-
-
Tjandra, N.1
Bax, A.2
-
12
-
-
0034685436
-
Prediction of Sterically Induced Alignment in a Dilute Liquid Crystalline Phase: Aid to Protein
-
Zweckstetter M, Bax A, (2000) Prediction of Sterically Induced Alignment in a Dilute Liquid Crystalline Phase: Aid to Protein. J Am Chem Soc 122: 3791-3792.
-
(2000)
J Am Chem Soc
, vol.122
, pp. 3791-3792
-
-
Zweckstetter, M.1
Bax, A.2
-
13
-
-
0037189885
-
Physical interpretation of residual dipolar couplings in neutral aligned media
-
Almond A, Axelsen JB, (2002) Physical interpretation of residual dipolar couplings in neutral aligned media. J Am Chem Soc 124: 9986-9987.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 9986-9987
-
-
Almond, A.1
Axelsen, J.B.2
-
14
-
-
77954302308
-
Structural assembly of molecular complexes based on residual dipolar couplings
-
Berlin K, O'Leary DP, Fushman D, (2010) Structural assembly of molecular complexes based on residual dipolar couplings. J Am Chem Soc 132: 8961-8972.
-
(2010)
J Am Chem Soc
, vol.132
, pp. 8961-8972
-
-
Berlin, K.1
O'Leary, D.P.2
Fushman, D.3
-
15
-
-
0029029566
-
Long-range motional restrictions in a multidomain zinc-finger protein from anisotropic tumbling
-
Bruschweiler R, Liao X, Wright PE, (1995) Long-range motional restrictions in a multidomain zinc-finger protein from anisotropic tumbling. Science 268: 886-889.
-
(1995)
Science
, vol.268
, pp. 886-889
-
-
Bruschweiler, R.1
Liao, X.2
Wright, P.E.3
-
16
-
-
0030963093
-
Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy
-
Tjandra N, Garrett DS, Gronenborn AM, Bax A, Clore GM, (1997) Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy. Nat Struct Biol 4: 443-449.
-
(1997)
Nat Struct Biol
, vol.4
, pp. 443-449
-
-
Tjandra, N.1
Garrett, D.S.2
Gronenborn, A.M.3
Bax, A.4
Clore, G.M.5
-
17
-
-
67650477385
-
Using the experimentally determined components of the overall rotational diffusion tensor to restrain molecular shape and size in NMR structure determination of globular proteins and protein-protein complexes
-
Ryabov Y, Suh J-Y, Grishaev A, Clore GM, Schwieters CD, (2009) Using the experimentally determined components of the overall rotational diffusion tensor to restrain molecular shape and size in NMR structure determination of globular proteins and protein-protein complexes. J Am Chem Soc 131: 9522-9531.
-
(2009)
J Am Chem Soc
, vol.131
, pp. 9522-9531
-
-
Ryabov, Y.1
Suh, J.-Y.2
Grishaev, A.3
Clore, G.M.4
Schwieters, C.D.5
-
18
-
-
37149049312
-
X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution
-
Putnam CD, Hammel M, Hura GL, Tainer JA, (2007) X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution. Q Rev Biophys 40: 191-285.
-
(2007)
Q Rev Biophys
, vol.40
, pp. 191-285
-
-
Putnam, C.D.1
Hammel, M.2
Hura, G.L.3
Tainer, J.A.4
-
19
-
-
0034820148
-
Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins
-
Meiler J, Prompers JJ, Peti W, Griesinger C, Brüschweiler R, (2001) Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins. J Am Chem Soc 123: 6098-6107.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 6098-6107
-
-
Meiler, J.1
Prompers, J.J.2
Peti, W.3
Griesinger, C.4
Brüschweiler, R.5
-
20
-
-
37849041714
-
Influence of the fluctuations of the alignment tensor on the analysis of the structure and dynamics of proteins using residual dipolar couplings
-
Salvatella X, Richter B, Vendruscolo M, (2008) Influence of the fluctuations of the alignment tensor on the analysis of the structure and dynamics of proteins using residual dipolar couplings. J Biomol NMR 40: 71-81.
-
(2008)
J Biomol NMR
, vol.40
, pp. 71-81
-
-
Salvatella, X.1
Richter, B.2
Vendruscolo, M.3
-
21
-
-
41449109638
-
Conformational distributions of unfolded polypeptides from novel NMR techniques
-
Meier S, Blackledge M, Grzesiek S, (2008) Conformational distributions of unfolded polypeptides from novel NMR techniques. J Chem Phys 128: 052204.
-
(2008)
J Chem Phys
, vol.128
, pp. 052204
-
-
Meier, S.1
Blackledge, M.2
Grzesiek, S.3
-
22
-
-
83455218417
-
Determination of Conformational Equilibria in Proteins Using Residual Dipolar Couplings
-
De Simone A, Montalvao RW, Vendruscolo M, (2011) Determination of Conformational Equilibria in Proteins Using Residual Dipolar Couplings. J Chem Theory Comput 7: 4189-4195.
-
(2011)
J Chem Theory Comput
, vol.7
, pp. 4189-4195
-
-
De Simone, A.1
Montalvao, R.W.2
Vendruscolo, M.3
-
23
-
-
71749087100
-
Quantitative description of backbone conformational sampling of unfolded proteins at amino acid resolution from NMR residual dipolar couplings
-
Nodet G, Salmon L, Ozenne V, Meier S, Jensen MR, et al. (2009) Quantitative description of backbone conformational sampling of unfolded proteins at amino acid resolution from NMR residual dipolar couplings. J Am Chem Soc 131: 17908-17918.
-
(2009)
J Am Chem Soc
, vol.131
, pp. 17908-17918
-
-
Nodet, G.1
Salmon, L.2
Ozenne, V.3
Meier, S.4
Jensen, M.R.5
-
24
-
-
34147107263
-
PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique
-
Borrelli KW, Vitalis A, Alcantara R, Guallar V, (2005) PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique. J Chem Theory Comput 1: 1304-1311.
-
(2005)
J Chem Theory Comput
, vol.1
, pp. 1304-1311
-
-
Borrelli, K.W.1
Vitalis, A.2
Alcantara, R.3
Guallar, V.4
-
25
-
-
64549108040
-
Noncooperative folding of subdomains in adenylate kinase
-
Rundqvist L, Adén J, Sparrman T, Wallgren M, Olsson U, et al. (2009) Noncooperative folding of subdomains in adenylate kinase. Biochemistry 48: 1911-1927.
-
(2009)
Biochemistry
, vol.48
, pp. 1911-1927
-
-
Rundqvist, L.1
Adén, J.2
Sparrman, T.3
Wallgren, M.4
Olsson, U.5
-
26
-
-
78650049311
-
Overlap between folding and functional energy landscapes for adenylate kinase conformational change
-
Olsson U, Wolf-Watz M, (2010) Overlap between folding and functional energy landscapes for adenylate kinase conformational change. Nat Commun 1: 111.
-
(2010)
Nat Commun
, vol.1
, pp. 111
-
-
Olsson, U.1
Wolf-Watz, M.2
-
27
-
-
0029644168
-
Adenylate kinase motions during catalysis: an energetic counterweight balancing substrate binding
-
Müller CW, Schlauderer GJ, Reinstein J, Schulz GE, (1996) Adenylate kinase motions during catalysis: an energetic counterweight balancing substrate binding. Structure 4: 147-156.
-
(1996)
Structure
, vol.4
, pp. 147-156
-
-
Müller, C.W.1
Schlauderer, G.J.2
Reinstein, J.3
Schulz, G.E.4
-
28
-
-
36849048228
-
Intrinsic motions along an enzymatic reaction trajectory
-
Henzler-Wildman KA, Thai V, Lei M, Ott M, Wolf-Watz M, et al. (2007) Intrinsic motions along an enzymatic reaction trajectory. Nature 450: 838-844.
-
(2007)
Nature
, vol.450
, pp. 838-844
-
-
Henzler-Wildman, K.A.1
Thai, V.2
Lei, M.3
Ott, M.4
Wolf-Watz, M.5
-
29
-
-
36749083505
-
Illuminating the mechanistic roles of enzyme conformational dynamics
-
Hanson JA, Duderstadt K, Watkins LP, Bhattacharyya S, Brokaw J, et al. (2007) Illuminating the mechanistic roles of enzyme conformational dynamics. Proc Natl Acad Sci U S A 104: 18055-18060.
-
(2007)
Proc Natl Acad Sci U S A
, vol.104
, pp. 18055-18060
-
-
Hanson, J.A.1
Duderstadt, K.2
Watkins, L.P.3
Bhattacharyya, S.4
Brokaw, J.5
-
30
-
-
36148979311
-
NMR identification of transient complexes critical to adenylate kinase catalysis
-
Adén J, Wolf-Watz M, (2007) NMR identification of transient complexes critical to adenylate kinase catalysis. J Am Chem Soc 129: 14003-14012.
-
(2007)
J Am Chem Soc
, vol.129
, pp. 14003-14012
-
-
Adén, J.1
Wolf-Watz, M.2
-
31
-
-
0026544877
-
Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state
-
Müller CW, Schulz GE, (1992) Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state. J Mol Biol 224: 159-177.
-
(1992)
J Mol Biol
, vol.224
, pp. 159-177
-
-
Müller, C.W.1
Schulz, G.E.2
-
32
-
-
70350131719
-
Rational modulation of conformational fluctuations in adenylate kinase reveals a local unfolding mechanism for allostery and functional adaptation in proteins
-
Schrank TP, Bolen DW, Hilser VJ, (2009) Rational modulation of conformational fluctuations in adenylate kinase reveals a local unfolding mechanism for allostery and functional adaptation in proteins. Proc Natl Acad Sci U S A 106: 16984-16989.
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 16984-16989
-
-
Schrank, T.P.1
Bolen, D.W.2
Hilser, V.J.3
-
33
-
-
38349092279
-
Conformational transitions in adenylate kinase. Allosteric communication reduces misligation
-
Whitford PC, Gosavi S, Onuchic JN, (2008) Conformational transitions in adenylate kinase. Allosteric communication reduces misligation. J Biol Chem 283: 2042-2048.
-
(2008)
J Biol Chem
, vol.283
, pp. 2042-2048
-
-
Whitford, P.C.1
Gosavi, S.2
Onuchic, J.N.3
-
34
-
-
33846847773
-
Conformational transitions of adenylate kinase: switching by cracking
-
Whitford PC, Miyashita O, Levy Y, Onuchic JN, (2007) Conformational transitions of adenylate kinase: switching by cracking. J Mol Biol 366: 1661-1671.
-
(2007)
J Mol Biol
, vol.366
, pp. 1661-1671
-
-
Whitford, P.C.1
Miyashita, O.2
Levy, Y.3
Onuchic, J.N.4
-
35
-
-
48149084621
-
The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study
-
Kubitzki MB, de Groot BL, (2008) The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure 16: 1175-1182.
-
(2008)
Structure
, vol.16
, pp. 1175-1182
-
-
Kubitzki, M.B.1
de Groot, B.L.2
-
36
-
-
36749008588
-
Large-scale allosteric conformational transitions of adenylate kinase appear to involve a population-shift mechanism
-
Arora K, Brooks CL, (2007) Large-scale allosteric conformational transitions of adenylate kinase appear to involve a population-shift mechanism. Proc Natl Acad Sci U S A 104: 18496-18501.
-
(2007)
Proc Natl Acad Sci U S A
, vol.104
, pp. 18496-18501
-
-
Arora, K.1
Brooks, C.L.2
-
37
-
-
0030592693
-
Towards a mechanism of AMP-substrate inhibition in adenylate kinase from Escherichia coli
-
Sinev MA, Sineva EV, V I, E H, (1996) Towards a mechanism of AMP-substrate inhibition in adenylate kinase from Escherichia coli. FEBS Lett 397: 273-276.
-
(1996)
FEBS Lett
, vol.397
, pp. 273-276
-
-
Sinev, M.A.1
Sineva, E.V.2
-
38
-
-
70350146298
-
Zipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open/closed transitions
-
Beckstein O, Denning EJ, Perilla JR, Woolf TB, (2009) Zipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open/closed transitions. J Mol Biol 394: 160-176.
-
(2009)
J Mol Biol
, vol.394
, pp. 160-176
-
-
Beckstein, O.1
Denning, E.J.2
Perilla, J.R.3
Woolf, T.B.4
-
39
-
-
0033551495
-
Domain orientation and dynamics in multidomain proteins from residual dipolar couplings
-
Fischer MW, Losonczi JA, Weaver JL, Prestegard JH, (1999) Domain orientation and dynamics in multidomain proteins from residual dipolar couplings. Biochemistry 38: 9013-9022.
-
(1999)
Biochemistry
, vol.38
, pp. 9013-9022
-
-
Fischer, M.W.1
Losonczi, J.A.2
Weaver, J.L.3
Prestegard, J.H.4
-
40
-
-
0041524259
-
NMR studies of structure and function of biological macromolecules (Nobel Lecture)
-
Wüthrich K, (2003) NMR studies of structure and function of biological macromolecules (Nobel Lecture). J Biomol NMR 27: 13-39.
-
(2003)
J Biomol NMR
, vol.27
, pp. 13-39
-
-
Wüthrich, K.1
-
41
-
-
56749158755
-
16-fold degeneracy of peptide plane orientations from residual dipolar couplings: analytical treatment and implications for protein structure determination
-
Hus J-C, Salmon L, Bouvignies G, Lotze J, Blackledge M, et al. (2008) 16-fold degeneracy of peptide plane orientations from residual dipolar couplings: analytical treatment and implications for protein structure determination. J Am Chem Soc 130: 15927-15937.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 15927-15937
-
-
Hus, J.-C.1
Salmon, L.2
Bouvignies, G.3
Lotze, J.4
Blackledge, M.5
-
42
-
-
80052114107
-
Protein dynamics: whispering within
-
Brüschweiler R, (2011) Protein dynamics: whispering within. Nat Chem 3: 665-666.
-
(2011)
Nat Chem
, vol.3
, pp. 665-666
-
-
Brüschweiler, R.1
-
43
-
-
0032528033
-
Validation of protein structure from anisotropic carbonyl chemical shifts in a dilute liquid
-
Cornilescu G, Marquardt J, Ottiger M, Bax A, (1998) Validation of protein structure from anisotropic carbonyl chemical shifts in a dilute liquid. J Am Chem Soc 120: 6836-6837.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 6836-6837
-
-
Cornilescu, G.1
Marquardt, J.2
Ottiger, M.3
Bax, A.4
-
44
-
-
67650500988
-
CHARMM: the biomolecular simulation program
-
Brooks BR, Brooks CL, Mackerell AD, Nilsson L, Petrella RJ, et al. (2009) CHARMM: the biomolecular simulation program. J Comput Chem 30: 1545-1614.
-
(2009)
J Comput Chem
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
Mackerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
|