-
1
-
-
0000467270
-
Electrostatic basis of structure-function correlation in proteins
-
Warshel A. Electrostatic basis of structure-function correlation in proteins. Acc Chem Res 1981;14:284-290.
-
(1981)
Acc Chem Res
, vol.14
, pp. 284-290
-
-
Warshel, A.1
-
2
-
-
0036681440
-
Empirical relationships between protein structure and carboxyl pK(a) values in proteins
-
Forsyth WR, Antosiewiez JM, Robertson AD. Empirical relationships between protein structure and carboxyl pK(a) values in proteins. Proteins 2002;48:388-403.
-
(2002)
Proteins
, vol.48
, pp. 388-403
-
-
Forsyth, W.R.1
Antosiewiez, J.M.2
Robertson, A.D.3
-
3
-
-
0036001159
-
Structural basis of perturbed pK(a) values of catalytic groups in enzyme active sites
-
Harris TK, Turner GJ. Structural basis of perturbed pK(a) values of catalytic groups in enzyme active sites. IUBMB Life 2002;53:85-98.
-
(2002)
IUBMB Life
, vol.53
, pp. 85-98
-
-
Harris, T.K.1
Turner, G.J.2
-
4
-
-
0030446158
-
Electrostatic interactions in the active site of the N-terminal thioredoxin-like domain of protein disulfide isomerase
-
Kortemme T, Darby NJ, Creighton TE. Electrostatic interactions in the active site of the N-terminal thioredoxin-like domain of protein disulfide isomerase. Biochemistry 1996;35:14503-14511.
-
(1996)
Biochemistry
, vol.35
, pp. 14503-14511
-
-
Kortemme, T.1
Darby, N.J.2
Creighton, T.E.3
-
5
-
-
0035965145
-
Prediction of functionally important residues based solely on the computed energetics of protein structure
-
Elcock AH. Prediction of functionally important residues based solely on the computed energetics of protein structure. J Mol Biol 2001;312:885-896.
-
(2001)
J Mol Biol
, vol.312
, pp. 885-896
-
-
Elcock, A.H.1
-
6
-
-
0035940421
-
THEMATICS: A simple computational predictor of enzyme function from structure
-
Ondrechen MJ, Clifton JG, Ringe D. THEMATICS: a simple computational predictor of enzyme function from structure. Proc Natl Acad Sci USA 2001;98:12473-12478.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 12473-12478
-
-
Ondrechen, M.J.1
Clifton, J.G.2
Ringe, D.3
-
7
-
-
0042011188
-
Calculating pKa values in enzyme active sites
-
Nielsen JE, McCammon JA. Calculating pKa values in enzyme active sites. Protein Sci 2003;12:1894-1901.
-
(2003)
Protein Sci
, vol.12
, pp. 1894-1901
-
-
Nielsen, J.E.1
McCammon, J.A.2
-
10
-
-
0025197061
-
Pkas of ionizable groups in proteins-atomic detail from a continuum electrostatic model
-
Bashford D, Karplus M. Pkas of ionizable groups in proteins-atomic detail from a continuum electrostatic model. Biochemistry 1990;29:10219-10225.
-
(1990)
Biochemistry
, vol.29
, pp. 10219-10225
-
-
Bashford, D.1
Karplus, M.2
-
11
-
-
0000000699
-
Electrostatic models for computing protonation and redox equilibria in proteins
-
Ullmann GM, Knapp EW. Electrostatic models for computing protonation and redox equilibria in proteins. Eur Biophys J Biophys Lett 1999;28:533-551.
-
(1999)
Eur Biophys J Biophys Lett
, vol.28
, pp. 533-551
-
-
Ullmann, G.M.1
Knapp, E.W.2
-
12
-
-
0027563464
-
On the calculation of Pk(a)S in proteins
-
Yang AS, Gunner MR, Sampogna R, Sharp K, Honig B. On the calculation of Pk(a)S in proteins. Proteins 1993;15:252-265.
-
(1993)
Proteins
, vol.15
, pp. 252-265
-
-
Yang, A.S.1
Gunner, M.R.2
Sampogna, R.3
Sharp, K.4
Honig, B.5
-
13
-
-
0033012333
-
A self-consistent, microenvironment modulated screened Coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins
-
Mehler EL, Guarnieri F. A self-consistent, microenvironment modulated screened Coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins. Biophys J 1999;77:3-22.
-
(1999)
Biophys J
, vol.77
, pp. 3-22
-
-
Mehler, E.L.1
Guarnieri, F.2
-
14
-
-
0000945505
-
Computing ionization states of proteins with a detailed charge model
-
Antosiewiez J, Briggs JM, Elcock AH, Gilson MK, McCammon JA. Computing ionization states of proteins with a detailed charge model. J Comput Chem 1996;17:1633-1644.
-
(1996)
J Comput Chem
, vol.17
, pp. 1633-1644
-
-
Antosiewiez, J.1
Briggs, J.M.2
Elcock, A.H.3
Gilson, M.K.4
McCammon, J.A.5
-
15
-
-
0029018932
-
A simple algorithm for the calculation of multiple-site titration curves
-
Karshikoff A. A simple algorithm for the calculation of multiple-site titration curves. Protein Eng 1995;8:243-248.
-
(1995)
Protein Eng
, vol.8
, pp. 243-248
-
-
Karshikoff, A.1
-
16
-
-
33748593093
-
Improving the continuum dielectric approach to calculating pK(a)s of ionizable groups in proteins
-
Demchuk E, Wade RC. Improving the continuum dielectric approach to calculating pK(a)s of ionizable groups in proteins. J Phys Chem 1996;100:17373-17387.
-
(1996)
J Phys Chem
, vol.100
, pp. 17373-17387
-
-
Demchuk, E.1
Wade, R.C.2
-
17
-
-
0035370422
-
Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations
-
Nielsen JE, Vriend G. Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations. Proteins 2001;43:403-412.
-
(2001)
Proteins
, vol.43
, pp. 403-412
-
-
Nielsen, J.E.1
Vriend, G.2
-
18
-
-
0032537485
-
Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain
-
Forsyth WR, Gilson MK, Antosiewiez J, Jaren OR, Robertson AD. Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain. Biochemistry 1998;37:8643-8652.
-
(1998)
Biochemistry
, vol.37
, pp. 8643-8652
-
-
Forsyth, W.R.1
Gilson, M.K.2
Antosiewiez, J.3
Jaren, O.R.4
Robertson, A.D.5
-
19
-
-
0034636803
-
Insensitivity of perturbed carboxyl pK(a) values in the ovomucoid third domain to charge replacement at a neighboring residue
-
Forsyth WR, Robertson AD. Insensitivity of perturbed carboxyl pK(a) values in the ovomucoid third domain to charge replacement at a neighboring residue. Biochemistry 2000;39:8067-8072.
-
(2000)
Biochemistry
, vol.39
, pp. 8067-8072
-
-
Forsyth, W.R.1
Robertson, A.D.2
-
20
-
-
0037474539
-
Charge-charge interactions are key determinants of the pK values of ionizable groups in ribonuclease Sa (pI = 3.5) and a basic variant (pI = 10.2)
-
Laurents DV, Huyghues-Despointes BMP, Bruix M, Thurlkill RL, Schell D, Newsom S, Grimsley GR, Shaw KL, Trevino S, Rico M, et al. Charge-charge interactions are key determinants of the pK values of ionizable groups in ribonuclease Sa (pI = 3.5) and a basic variant (pI = 10.2). J Mol Biol 2003;325:1077-1092.
-
(2003)
J Mol Biol
, vol.325
, pp. 1077-1092
-
-
Laurents, D.V.1
Huyghues-Despointes, B.M.P.2
Bruix, M.3
Thurlkill, R.L.4
Schell, D.5
Newsom, S.6
Grimsley, G.R.7
Shaw, K.L.8
Trevino, S.9
Rico, M.10
-
22
-
-
2942677105
-
The determinants of carboxyl pKa values in turkey ovomucoid third domain
-
Li H, Robertson AD, Jensen JH. The determinants of carboxyl pKa values in turkey ovomucoid third domain. Proteins 2004;55:689-704.
-
(2004)
Proteins
, vol.55
, pp. 689-704
-
-
Li, H.1
Robertson, A.D.2
Jensen, J.H.3
-
24
-
-
84912964993
-
Refinement of triclinic lysozyme .2. The method of stereochemically restrained least-squares
-
Ramanadham M, Sieker LC, Jensen LH. Refinement of triclinic lysozyme .2. The method of stereochemically restrained least-squares. Acta Crystallographica B 1990;46:63-69.
-
(1990)
Acta Crystallographica B
, vol.46
, pp. 63-69
-
-
Ramanadham, M.1
Sieker, L.C.2
Jensen, L.H.3
-
25
-
-
0026554928
-
Structural details of ribonuclease-H from Escherichia coli as refined to an atomic resolution
-
Katayanagi K, Miyagawa M, Matsushima M, Ishikawa M, Kanaya S, Nakamura H, Ikehara M, Matsuzaki T, Morikawa K. Structural details of ribonuclease-H from Escherichia coli as refined to an atomic resolution. J Mol Biol 1992;223:1029-1052.
-
(1992)
J Mol Biol
, vol.223
, pp. 1029-1052
-
-
Katayanagi, K.1
Miyagawa, M.2
Matsushima, M.3
Ishikawa, M.4
Kanaya, S.5
Nakamura, H.6
Ikehara, M.7
Matsuzaki, T.8
Morikawa, K.9
-
26
-
-
0033954256
-
The Protein Data Bank
-
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The Protein Data Bank. Nucleic Acids Res 2000;28:235-242.
-
(2000)
Nucleic Acids Res
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
27
-
-
0029644939
-
Structure of Hiv-1 protease with Kni-272, a tight-binding transition-state analog containing allophenylnorstatine
-
Baldwin ET, Bhat TN, Gulnik S, Liu BS, Topol IA, Kiso Y, Mimoto T, Mitsuya H, Erickson JW. Structure of Hiv-1 protease with Kni-272, a tight-binding transition-state analog containing allophenylnorstatine. Structure 1995;3:581-590.
-
(1995)
Structure
, vol.3
, pp. 581-590
-
-
Baldwin, E.T.1
Bhat, T.N.2
Gulnik, S.3
Liu, B.S.4
Topol, I.A.5
Kiso, Y.6
Mimoto, T.7
Mitsuya, H.8
Erickson, J.W.9
-
28
-
-
0030585429
-
Crystal structures of reduced, oxidized, and mutated human thioredoxins: Evidence for a regulatory homodimer
-
Weichsel A, Gasdaska JR, Powis G, Montfort WR. Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure 1996;4:735-751.
-
(1996)
Structure
, vol.4
, pp. 735-751
-
-
Weichsel, A.1
Gasdaska, J.R.2
Powis, G.3
Montfort, W.R.4
-
29
-
-
33947468892
-
Theory of protein tritration curves. I. General equations for impenetrable spheres
-
Tanford C, Kirkwood JG. Theory of protein tritration curves. I. General equations for impenetrable spheres. J Am Chem Soc 1957;79:5333-5339.
-
(1957)
J Am Chem Soc
, vol.79
, pp. 5333-5339
-
-
Tanford, C.1
Kirkwood, J.G.2
-
30
-
-
0037129945
-
Electrostatic interactions in ubiquitin: Stabilization of carboxylates by lysine amino groups
-
Sundd M, Iverson N, Ibarra-Molero B, Sanchez-Ruiz JM, Robertson AD. Electrostatic interactions in ubiquitin: stabilization of carboxylates by lysine amino groups. Biochemistry 2002;41:7586-7596.
-
(2002)
Biochemistry
, vol.41
, pp. 7586-7596
-
-
Sundd, M.1
Iverson, N.2
Ibarra-Molero, B.3
Sanchez-Ruiz, J.M.4
Robertson, A.D.5
-
31
-
-
28644443371
-
Investigation of electrostatics in ubiquitin by mutagenesis and NMR
-
Sundd M, Iverson N, Robertson AD. Investigation of electrostatics in ubiquitin by mutagenesis and NMR. Biophys J 82;2002:299a.
-
(2002)
Biophys J
, vol.82
-
-
Sundd, M.1
Iverson, N.2
Robertson, A.D.3
-
32
-
-
0041324868
-
Rearrangement of charge-charge interactions in variant ubiquitins as detected by double-mutant cycles and NMR
-
Sundd M, Robertson AD. Rearrangement of charge-charge interactions in variant ubiquitins as detected by double-mutant cycles and NMR. J Mol Biol 2003;332:927-936.
-
(2003)
J Mol Biol
, vol.332
, pp. 927-936
-
-
Sundd, M.1
Robertson, A.D.2
-
33
-
-
0033850087
-
High apparent dielectric constants in the interior of a protein reflect water penetration
-
Dwyer JJ, Gittis AG, Karp DA, Lattman EE, Spencer DS, Stites WE, Garcia-Moreno B. High apparent dielectric constants in the interior of a protein reflect water penetration. Biophys J 2000;79:1610-1620.
-
(2000)
Biophys J
, vol.79
, pp. 1610-1620
-
-
Dwyer, J.J.1
Gittis, A.G.2
Karp, D.A.3
Lattman, E.E.4
Spencer, D.S.5
Stites, W.E.6
Garcia-Moreno, B.7
-
34
-
-
28644432519
-
Solvent penetration may be responsible for the high dielectric constant inside a protein
-
Garcia-Moreno B, Dwyer JJ, Gittis AG, Lattman EE, Spencer DS, Stites WE. Solvent penetration may be responsible for the high dielectric constant inside a protein. Biophys J 1998;74:A132.
-
(1998)
Biophys J
, vol.74
-
-
Garcia-Moreno, B.1
Dwyer, J.J.2
Gittis, A.G.3
Lattman, E.E.4
Spencer, D.S.5
Stites, W.E.6
-
35
-
-
0040321024
-
Experimental measurement of the effective dielectric in the hydrophobic core of a protein
-
GarciaMoreno B, Dwyer JJ, Gittis AG, Lattman EE, Spencer DS, Stites WE. Experimental measurement of the effective dielectric in the hydrophobic core of a protein. Biophys Chem 1997;64:211-224.
-
(1997)
Biophys Chem
, vol.64
, pp. 211-224
-
-
Garciamoreno, B.1
Dwyer, J.J.2
Gittis, A.G.3
Lattman, E.E.4
Spencer, D.S.5
Stites, W.E.6
-
36
-
-
0036228118
-
Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein
-
Lee KK, Fitch CA, Garcia-Moreno B. Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein. Protein Sci 2002;11:1004-1016.
-
(2002)
Protein Sci
, vol.11
, pp. 1004-1016
-
-
Lee, K.K.1
Fitch, C.A.2
Garcia-Moreno, B.3
-
37
-
-
0037197681
-
Electrostatic effects in highly charged proteins: Salt sensitivity of pK(a) values of histidines in staphylococcal nuclease
-
Lee KK, Fitch CA, Lecomte JTJ, Garcia-Moreno B. Electrostatic effects in highly charged proteins: salt sensitivity of pK(a) values of histidines in staphylococcal nuclease. Biochemistry 2002;41:5656-5667.
-
(2002)
Biochemistry
, vol.41
, pp. 5656-5667
-
-
Lee, K.K.1
Fitch, C.A.2
Lecomte, J.T.J.3
Garcia-Moreno, B.4
-
38
-
-
28644444909
-
The pK(a) of buried ionizable groups in staph nuclease: An experimental measure of the dielectric constant of a protein interior
-
Spencer DS, Weiss D, Stites WE, Garcia-Moreno B, Dwyer JJ, Gittis AG, Lattman EE. The pK(a) of buried ionizable groups in staph nuclease: an experimental measure of the dielectric constant of a protein interior. Biophys J 1998;74:A170-A170.
-
(1998)
Biophys J
, vol.74
-
-
Spencer, D.S.1
Weiss, D.2
Stites, W.E.3
Garcia-Moreno, B.4
Dwyer, J.J.5
Gittis, A.G.6
Lattman, E.E.7
-
39
-
-
0037058895
-
Charge-charge interactions are the primary determinants of the pK values of the ionizable groups in Ribonuclease T1
-
Pace CN, Huyghues-Despointes BMP, Briggs JM, Grimsley GR, Scholtz JM. Charge-charge interactions are the primary determinants of the pK values of the ionizable groups in Ribonuclease T1. Biophys Chem 2002;101:211-219.
-
(2002)
Biophys Chem
, vol.101
, pp. 211-219
-
-
Pace, C.N.1
Huyghues-Despointes, B.M.P.2
Briggs, J.M.3
Grimsley, G.R.4
Scholtz, J.M.5
-
40
-
-
0037963208
-
An empirical model for electrostatic interactions in proteins incorporating multiple geometry-dependent dielectric constants
-
Wisz MS, Hellinga HW. An empirical model for electrostatic interactions in proteins incorporating multiple geometry-dependent dielectric constants. Proteins 2003;51:360-377.
-
(2003)
Proteins
, vol.51
, pp. 360-377
-
-
Wisz, M.S.1
Hellinga, H.W.2
-
41
-
-
0022801412
-
X-ray crystal-structure of the complex of human-leukocyte elastase (pmn elastase) and the 3rd domain of the turkey ovomucoid inhibitor
-
Bode W, Wei AZ, Huber R, Meyer E, Travis J, Neumann S. X-ray crystal-structure of the complex of human-leukocyte elastase (pmn elastase) and the 3rd domain of the turkey ovomucoid inhibitor. EMBO J 1986;5:2453-2458.
-
(1986)
EMBO J
, vol.5
, pp. 2453-2458
-
-
Bode, W.1
Wei, A.Z.2
Huber, R.3
Meyer, E.4
Travis, J.5
Neumann, S.6
-
42
-
-
2942677105
-
The determinants of carboxyl pKa values in turkey ovomucoid third domain
-
Li H, Robertson AD, Jensen JH, The determinants of carboxyl pKa values in turkey ovomucoid third domain. Proteins 2004;55:689-704.
-
(2004)
Proteins
, vol.55
, pp. 689-704
-
-
Li, H.1
Robertson, A.D.2
Jensen, J.H.3
-
43
-
-
0028232021
-
Individual ionization-constants of all the carboxyl groups in ribonuclease HI from Escherichia coli determined by NMR
-
Oda Y, Yamazaki T, Nagayama K, Kanaya S, Kuroda Y, Nakamura H. Individual ionization-constants of all the carboxyl groups in ribonuclease HI from Escherichia coli determined by NMR. Biochemistry 1994;33:5275-5284.
-
(1994)
Biochemistry
, vol.33
, pp. 5275-5284
-
-
Oda, Y.1
Yamazaki, T.2
Nagayama, K.3
Kanaya, S.4
Kuroda, Y.5
Nakamura, H.6
-
44
-
-
0023644679
-
Structure of ubiquitin refined at 1.8 Å resolution
-
Vijaykumar S, Bugg CE, Cook WJ. Structure of ubiquitin refined at 1.8 Å resolution. J Mol Biol 1987;194:531-544.
-
(1987)
J Mol Biol
, vol.194
, pp. 531-544
-
-
Vijaykumar, S.1
Bugg, C.E.2
Cook, W.J.3
-
45
-
-
0007833595
-
X-ray structure of monoclinic turkey egg lysozyme at 1.3-Angstrom resolution
-
Harata K. X-ray structure of monoclinic turkey egg lysozyme at 1.3-Angstrom resolution. Acta Crystallographica D Biol Crystallogr 1993;49:497-504.
-
(1993)
Acta Crystallographica D Biol Crystallogr
, vol.49
, pp. 497-504
-
-
Harata, K.1
-
46
-
-
0028354429
-
2 Crystal-structures of the B1 immunoglobulin-binding domain of Streptococcal protein-G and comparison with NMR
-
Gallagher T, Alexander P, Bryan P, Gilliland GL. 2 Crystal-structures of the B1 immunoglobulin-binding domain of Streptococcal protein-G and comparison with NMR. Biochemistry 1994;33:4721-4729.
-
(1994)
Biochemistry
, vol.33
, pp. 4721-4729
-
-
Gallagher, T.1
Alexander, P.2
Bryan, P.3
Gilliland, G.L.4
-
47
-
-
0028080176
-
The 3rd Igg-binding domain from Streptococcal-protein-G - An analysis by X-ray crystallography of the structure alone and in a complex with Fab
-
Derrick JP, Wigley DB. The 3rd Igg-binding domain from Streptococcal-protein-G-an analysis by X-ray crystallography of the structure alone and in a complex with Fab. J Mol Biol 1994;243:906-918.
-
(1994)
J Mol Biol
, vol.243
, pp. 906-918
-
-
Derrick, J.P.1
Wigley, D.B.2
-
48
-
-
0019944172
-
Molecular-structure of a new family of ribonucleases
-
Mauguen Y, Hartley RW, Dodson EJ, Dodson GG, Bricogne G, Chothia C, Jack A. Molecular-structure of a new family of ribonucleases. Nature 1982;297:162-164.
-
(1982)
Nature
, vol.297
, pp. 162-164
-
-
Mauguen, Y.1
Hartley, R.W.2
Dodson, E.J.3
Dodson, G.G.4
Bricogne, G.5
Chothia, C.6
Jack, A.7
-
49
-
-
84977303841
-
The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors
-
Marquart M, Walter J, Deisenhofer J, Bode W, Huber R. The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors. Acta Crystallogr B 1983;39:480-490.
-
(1983)
Acta Crystallogr B
, vol.39
, pp. 480-490
-
-
Marquart, M.1
Walter, J.2
Deisenhofer, J.3
Bode, W.4
Huber, R.5
-
50
-
-
84944815380
-
Segmented anisotropic refinement of bovine ribonuclease - A by the application of the rigid-body TLS model
-
Howlin B, Moss DS, Harris GW. Segmented anisotropic refinement of bovine ribonuclease-A by the application of the rigid-body TLS model. Acta Crystallogr A 1989;45:851-861.
-
(1989)
Acta Crystallogr A
, vol.45
, pp. 851-861
-
-
Howlin, B.1
Moss, D.S.2
Harris, G.W.3
-
51
-
-
0030481340
-
Ionic interactions in crystalline bovine pancreatic ribonuclease A
-
Fedorov AA, JosephMcCarthy D, Fedorov E, Sirakova D, Graf I, Almo SC. Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry 1996;35:15962-15979.
-
(1996)
Biochemistry
, vol.35
, pp. 15962-15979
-
-
Fedorov, A.A.1
Josephmccarthy, D.2
Fedorov, E.3
Sirakova, D.4
Graf, I.5
Almo, S.C.6
-
52
-
-
0026344399
-
The 3-dimensional structure of the aspartyl protease from the Hiv-1 isolate Bru
-
Spinelli S, Liu QZ, Alzari PM, Hirel PH, Poljak RJ. The 3-dimensional structure of the aspartyl protease from the Hiv-1 isolate Bru. Biochimie 1991;73:1391-1396.
-
(1991)
Biochimie
, vol.73
, pp. 1391-1396
-
-
Spinelli, S.1
Liu, Q.Z.2
Alzari, P.M.3
Hirel, P.H.4
Poljak, R.J.5
-
53
-
-
0028057975
-
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors
-
Lam PYS, Jadhav PK, Eyermann CJ, Hodge CN, Ru Y, Bacheler LT, Meek JL, Otto MJ, Rayner MM, Wong YN, et al. Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. Science 1994;263:380-384.
-
(1994)
Science
, vol.263
, pp. 380-384
-
-
Lam, P.Y.S.1
Jadhav, P.K.2
Eyermann, C.J.3
Hodge, C.N.4
Ru, Y.5
Bacheler, L.T.6
Meek, J.L.7
Otto, M.J.8
Rayner, M.M.9
Wong, Y.N.10
-
54
-
-
0031022510
-
Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV
-
Jadhav PK, Ala P, Woerner FJ, Chang CH, Garber SS, Anton ED, Bacheler LT. Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV. J Med Chem 1997;40:181-191.
-
(1997)
J Med Chem
, vol.40
, pp. 181-191
-
-
Jadhav, P.K.1
Ala, P.2
Woerner, F.J.3
Chang, C.H.4
Garber, S.S.5
Anton, E.D.6
Bacheler, L.T.7
-
55
-
-
9544235162
-
Cyclic HIV protease inhibitors: Synthesis, conformational analysis, P2/P2′ structure-activity relationship, and molecular recognition of cyclic ureas
-
Lam PYS, Ru Y, Jadhav PK, Aldrich PE, DeLucca GV, Eyermann CJ, Chang CH, Emmett G, Holler ER, Daneker WF, et al. Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2′ structure-activity relationship, and molecular recognition of cyclic ureas. J Med Chem 1996;39:3514-3525.
-
(1996)
J Med Chem
, vol.39
, pp. 3514-3525
-
-
Lam, P.Y.S.1
Ru, Y.2
Jadhav, P.K.3
Aldrich, P.E.4
DeLucca, G.V.5
Eyermann, C.J.6
Chang, C.H.7
Emmett, G.8
Holler, E.R.9
Daneker, W.F.10
-
56
-
-
0024412506
-
Conserved folding in retroviral proteases-crystal-structure of a synthetic hiv-1 protease
-
Wlodawer A, Miller M, Jaskolski M, Sathyanarayana BK, Baldwin E, Weber IT, Selk LM, Clawson L, Schneider J, Kent SBH. Conserved folding in retroviral proteases-crystal-structure of a synthetic hiv-1 protease. Science 1989;245:616-621.
-
(1989)
Science
, vol.245
, pp. 616-621
-
-
Wlodawer, A.1
Miller, M.2
Jaskolski, M.3
Sathyanarayana, B.K.4
Baldwin, E.5
Weber, I.T.6
Selk, L.M.7
Clawson, L.8
Schneider, J.9
Kent, S.B.H.10
-
57
-
-
0024344021
-
Structure of complex of synthetic Hiv-1 protease with a substrate-based inhibitor at 2.3-Aring; resolution
-
Miller M, Schneider J, Sathyanarayana BK, Toth MV, Marshall GR, Clawson L, Selk L, Kent SBH, Wlodawer A. Structure of complex of synthetic Hiv-1 protease with a substrate-based inhibitor at 2.3-Aring; resolution. Science 1989;246:1149-1152.
-
(1989)
Science
, vol.246
, pp. 1149-1152
-
-
Miller, M.1
Schneider, J.2
Sathyanarayana, B.K.3
Toth, M.V.4
Marshall, G.R.5
Clawson, L.6
Selk, L.7
Kent, S.B.H.8
Wlodawer, A.9
-
58
-
-
0031024447
-
Crystal structure of cardiotoxin V from Taiwan cobra venom: PH-dependent conformational change and a novel membrane-binding motif identified in the three-finger loops of P-type cardiotoxin
-
Sun YJ, Wu WG, Chiang CM, Hsin AY, Hsiao CD. Crystal structure of cardiotoxin V from Taiwan cobra venom: pH-dependent conformational change and a novel membrane-binding motif identified in the three-finger loops of P-type cardiotoxin. Biochemistry 1997;36:2403-2413.
-
(1997)
Biochemistry
, vol.36
, pp. 2403-2413
-
-
Sun, Y.J.1
Wu, W.G.2
Chiang, C.M.3
Hsin, A.Y.4
Hsiao, C.D.5
-
59
-
-
0029114534
-
One sequence, 2 folds - A metastable structure of Cd2
-
Murray AJ, Lewis SJ, Barclay AN, Brady RL. One sequence, 2 folds-a metastable structure of Cd2. Proc Natl Acad Sci USA 1995;92:7337-7341.
-
(1995)
Proc Natl Acad Sci USA
, vol.92
, pp. 7337-7341
-
-
Murray, A.J.1
Lewis, S.J.2
Barclay, A.N.3
Brady, R.L.4
-
60
-
-
0023652256
-
Crystal and molecular-structure of the serine proteinase-ihibitor Ci-2 from barley seeds
-
McPhalen CA, James MNG. Crystal and molecular-structure of the serine proteinase-ihibitor Ci-2 from barley seeds. Biochemistry 1987;26:261-269.
-
(1987)
Biochemistry
, vol.26
, pp. 261-269
-
-
McPhalen, C.A.1
James, M.N.G.2
-
61
-
-
0030589531
-
Crystal structure of a fungal elicitor secreted by Phytophthora cryptogea, a member of a novel class of plant necrotic proteins
-
Boissy G, deLaFortelle E, Kahn R, Huet JC, Bricogne G, Pernollet JC, Brunie S. Crystal structure of a fungal elicitor secreted by Phytophthora cryptogea, a member of a novel class of plant necrotic proteins. Structure 1996;4:1429-1439.
-
(1996)
Structure
, vol.4
, pp. 1429-1439
-
-
Boissy, G.1
DeLaFortelle, E.2
Kahn, R.3
Huet, J.C.4
Bricogne, G.5
Pernollet, J.C.6
Brunie, S.7
-
62
-
-
0034674158
-
The highly refined solution structure of the cytotoxic ribonuclease alpha-sarcin reveals the structural requirements for substrate recognition and ribonucleolytic activity
-
Perez-Canadillas JM, Santoro J, Campos-Olivas R, Lacadena J, del Pozo AM, Gavilanes JG, Rico M, Bruix M. The highly refined solution structure of the cytotoxic ribonuclease alpha-sarcin reveals the structural requirements for substrate recognition and ribonucleolytic activity. J Mol Biol 2000;299:1061-1073.
-
(2000)
J Mol Biol
, vol.299
, pp. 1061-1073
-
-
Perez-Canadillas, J.M.1
Santoro, J.2
Campos-Olivas, R.3
Lacadena, J.4
Del Pozo, A.M.5
Gavilanes, J.G.6
Rico, M.7
Bruix, M.8
-
63
-
-
0027092753
-
Nuclear-magnetic-resonance solution. Structure of hirudin(1-51) and comparison with corresponding 3-dimensional structures determined using the complete 65-residue hirudin polypeptide-chain
-
Szyperski T, Guntert P, Stone SR, Wuthrich K. Nuclear-magnetic-resonance solution. Structure of hirudin(1-51) and comparison with corresponding 3-dimensional structures determined using the complete 65-residue hirudin polypeptide-chain. J Mol Biol 1992;228:1193-1205.
-
(1992)
J Mol Biol
, vol.228
, pp. 1193-1205
-
-
Szyperski, T.1
Guntert, P.2
Stone, S.R.3
Wuthrich, K.4
-
64
-
-
0022429237
-
Solution conformation of proteinase inhibitor-Iia from bull seminal plasma by H-1 nuclear magnetic-resonance and distance geometry
-
Williamson MP, Havel TF, Wuthrich K. Solution conformation of proteinase inhibitor-Iia from bull seminal plasma by H-1 nuclear magnetic-resonance and distance geometry. J Mol Biol 1985;182:295-315.
-
(1985)
J Mol Biol
, vol.182
, pp. 295-315
-
-
Williamson, M.P.1
Havel, T.F.2
Wuthrich, K.3
-
65
-
-
0026508986
-
Solution structure of murine epidermal growth-factor determined by NMR-spectroscopy and refined by energy minimization with restraints
-
Montelione GT, Wuthrich K, Burgess AW, Nice EC, Wagner G, Gibson KD, Scheraga HA. Solution structure of murine epidermal growth-factor determined by NMR-spectroscopy and refined by energy minimization with restraints. Biochemistry 1992;31:236-249.
-
(1992)
Biochemistry
, vol.31
, pp. 236-249
-
-
Montelione, G.T.1
Wuthrich, K.2
Burgess, A.W.3
Nice, E.C.4
Wagner, G.5
Gibson, K.D.6
Scheraga, H.A.7
-
66
-
-
0026492003
-
3-Dimensional solution structure of an insulin dimer-a study of the B9(Asp) mutant of human insulin using nuclear-magnetic-resonance, distance geometry and restrained molecular-dynamics
-
Jorgensen AMM, Kristensen SM, Led JJ, Balschmidt P. 3-Dimensional solution structure of an insulin dimer-a study of the B9(Asp) mutant of human insulin using nuclear-magnetic-resonance, distance geometry and restrained molecular-dynamics. J Mol Biol 1992;227:1146-1163.
-
(1992)
J Mol Biol
, vol.227
, pp. 1146-1163
-
-
Jorgensen, A.M.M.1
Kristensen, S.M.2
Led, J.J.3
Balschmidt, P.4
-
67
-
-
0027373949
-
Crystal-structure of the Dsba protein required for disulfide bond formation in-vivo
-
Martin JL, Bardwell JCA, Kuriyan J. Crystal-structure of the Dsba protein required for disulfide bond formation in-vivo. Nature 1993;365:464-468.
-
(1993)
Nature
, vol.365
, pp. 464-468
-
-
Martin, J.L.1
Bardwell, J.C.A.2
Kuriyan, J.3
-
68
-
-
0025319619
-
Crystal-structure of thioredoxin from Escherichia coli at 1.68 Å resolution
-
Katti SK, Lemaster DM, Eklund H. Crystal-structure of thioredoxin from Escherichia coli at 1.68 Å resolution, J Mol Biol 1990;212:167-184.
-
(1990)
J Mol Biol
, vol.212
, pp. 167-184
-
-
Katti, S.K.1
Lemaster, D.M.2
Eklund, H.3
-
69
-
-
0027050496
-
NMR structure of oxidized Escherichia coli glutaredoxin-comparison with reduced Escherichia coli glutaredoxin and functionally related proteins
-
Xia TH, Bushweller JH, Sodano P, Billeter M, Bjornberg O, Holmgren A, Wuthrich K. NMR structure of oxidized Escherichia coli glutaredoxin-comparison with reduced Escherichia coli glutaredoxin and functionally related proteins. Protein Sci 1992;1:310-321.
-
(1992)
Protein Sci
, vol.1
, pp. 310-321
-
-
Xia, T.H.1
Bushweller, J.H.2
Sodano, P.3
Billeter, M.4
Bjornberg, O.5
Holmgren, A.6
Wuthrich, K.7
-
71
-
-
0030593678
-
Crystal structure of a caricain D158E mutant in complex with E-64
-
Katerelos NA, Taylor MAJ, Scott M, Goodenough PW, Pickersgill RW. Crystal structure of a caricain D158E mutant in complex with E-64. FEBS Lett 1996;392:35-39.
-
(1996)
FEBS Lett
, vol.392
, pp. 35-39
-
-
Katerelos, N.A.1
Taylor, M.A.J.2
Scott, M.3
Goodenough, P.W.4
Pickersgill, R.W.5
-
73
-
-
0029973729
-
Structure determination of the N-terminal thioredoxin-like domain of protein disulfide isomerase using multidimensional heteronuclear C-13/N-15 NMR spectroscopy
-
Kemmink J, Darby NJ, Dijkstra K, Nilges M, Creighton TE. Structure determination of the N-terminal thioredoxin-like domain of protein disulfide isomerase using multidimensional heteronuclear C-13/N-15 NMR spectroscopy. Biochemistry 1996;35:7684-7691.
-
(1996)
Biochemistry
, vol.35
, pp. 7684-7691
-
-
Kemmink, J.1
Darby, N.J.2
Dijkstra, K.3
Nilges, M.4
Creighton, T.E.5
-
74
-
-
0343193210
-
Topography of a 2.0 angstrom structure of alpha(1)-antitrypsin reveals targets for rational drug design to prevent conformational disease
-
Elliott PR, Pei XY, Dafforn TR, Lomas DA. Topography of a 2.0 angstrom structure of alpha(1)-antitrypsin reveals targets for rational drug design to prevent conformational disease. Protein Sci 2000;9:1274-1281.
-
(2000)
Protein Sci
, vol.9
, pp. 1274-1281
-
-
Elliott, P.R.1
Pei, X.Y.2
Dafforn, T.R.3
Lomas, D.A.4
-
75
-
-
0028968184
-
Crystal-structures of recombinant rat cathepsin-B and a cathepsin B-inhibitor complex-implications for structure-based inhibitor design
-
Jia ZC, Hasnain S, Hirama T, Lee X, Mort JS, To R, Huber CP. Crystal-structures of recombinant rat cathepsin-B and a cathepsin B-inhibitor complex-implications for structure-based inhibitor design. J Biol Chem 270;1995:5527-5533.
-
(1995)
J Biol Chem
, vol.270
, pp. 5527-5533
-
-
Jia, Z.C.1
Hasnain, S.2
Hirama, T.3
Lee, X.4
Mort, J.S.5
To, R.6
Huber, C.P.7
-
76
-
-
0001141858
-
On the disordered activation domain in trypsinogen-chemical labeling and low-temperature crystallography
-
Walter J, Steigemann W, Singh TP, Bartunik H, Bode W, Huber R. On the disordered activation domain in trypsinogen-chemical labeling and low-temperature crystallography. Acta Crystallographica B 1982;38:1462-1472.
-
(1982)
Acta Crystallographica B
, vol.38
, pp. 1462-1472
-
-
Walter, J.1
Steigemann, W.2
Singh, T.P.3
Bartunik, H.4
Bode, W.5
Huber, R.6
-
77
-
-
0028016349
-
Crystal-structure of bovine heart phosphotyrosyl phosphatase at 2.2-Angstrom resolution
-
Zhang M, Vanetten RL, Stauffacher CV. Crystal-structure of bovine heart phosphotyrosyl phosphatase at 2.2-Angstrom resolution. Biochemistry 1994;33:11097-11105.
-
(1994)
Biochemistry
, vol.33
, pp. 11097-11105
-
-
Zhang, M.1
Vanetten, R.L.2
Stauffacher, C.V.3
-
78
-
-
0026619463
-
Similarities and differences between human cyclophilin-a and other beta-barrel structures-structural refinement at 1.63 Angstrom resolution
-
Ke HM. Similarities and differences between human cyclophilin-a and other beta-barrel structures-structural refinement at 1.63 Angstrom resolution. J Mol Biol 1992;228:539-550.
-
(1992)
J Mol Biol
, vol.228
, pp. 539-550
-
-
Ke, H.M.1
-
79
-
-
0027340388
-
The 2.0-Angstrom resolution structure of Escherichia coli histidine-containing phosphocarrier protein Hpr-a redetermination
-
Jia ZC, Quail JW, Waygood EB, Delbaere LTJ. The 2.0-Angstrom resolution structure of Escherichia coli histidine-containing phosphocarrier protein Hpr-a redetermination. J Biol Chem 1993;268:22490-22501.
-
(1993)
J Biol Chem
, vol.268
, pp. 22490-22501
-
-
Jia, Z.C.1
Quail, J.W.2
Waygood, E.B.3
Delbaere, L.T.J.4
-
80
-
-
0019816864
-
Refinement of human lysozyme at 1.5 Å resolution analysis of nonbonded and hydrogen-bond interactions
-
Artymiuk PJ, Blake CCF. Refinement of human lysozyme at 1.5 Å resolution analysis of nonbonded and hydrogen-bond interactions. J Mol Biol 1981;152:737-762.
-
(1981)
J Mol Biol
, vol.152
, pp. 737-762
-
-
Artymiuk, P.J.1
Blake, C.C.F.2
-
81
-
-
0025296867
-
High-resolution study of the 3-Dimensional structure of horse heart metmyoglobin
-
Evans SV, Brayer GD. High-resolution study of the 3-Dimensional structure of horse heart metmyoglobin. J Mol Biol 1990;213:885-897.
-
(1990)
J Mol Biol
, vol.213
, pp. 885-897
-
-
Evans, S.V.1
Brayer, G.D.2
-
82
-
-
0029740871
-
Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1→6)-D-myo-inositol, an essential fragment of GPI anchors
-
Heinz DW, Ryan M, Smith MP, Weaver LH, Keana JFW, Griffith OH. Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1→6)-D-myo-inositol, an essential fragment of GPI anchors. Biochemistry 1996;35:9496-9504.
-
(1996)
Biochemistry
, vol.35
, pp. 9496-9504
-
-
Heinz, D.W.1
Ryan, M.2
Smith, M.P.3
Weaver, L.H.4
Keana, J.F.W.5
Griffith, O.H.6
-
83
-
-
0028936782
-
X-Ray crystal-structures of Staphylococcal nuclease complexed with the competitive inhibitor Cobalt(Ii) and Nucleotide
-
Loll PJ, Quirk S, Lattman EE, Garavito RM. X-Ray crystal-structures of Staphylococcal nuclease complexed with the competitive inhibitor Cobalt(Ii) and Nucleotide. Biochemistry 1995;34:4316-4324.
-
(1995)
Biochemistry
, vol.34
, pp. 4316-4324
-
-
Loll, P.J.1
Quirk, S.2
Lattman, E.E.3
Garavito, R.M.4
-
84
-
-
0025826966
-
Solution structure of Fkbp, a rotamase enzyme and receptor for Fk506 andrapamycin
-
Michnick SW, Rosen MK, Wandless TJ, Karplus M, Schreiber SL. Solution structure of Fkbp, a rotamase enzyme and receptor for Fk506 andrapamycin. Science 1991;252:836-839.
-
(1991)
Science
, vol.252
, pp. 836-839
-
-
Michnick, S.W.1
Rosen, M.K.2
Wandless, T.J.3
Karplus, M.4
Schreiber, S.L.5
-
85
-
-
0036783381
-
Variability in the pKa of histidine side-chains correlates with burial within proteins
-
Edgcomb SP, Murphy KP. Variability in the pKa of histidine side-chains correlates with burial within proteins. Proteins 2002;49:1-6.
-
(2002)
Proteins
, vol.49
, pp. 1-6
-
-
Edgcomb, S.P.1
Murphy, K.P.2
-
86
-
-
0036787760
-
Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins
-
Georgescu RE, Alexov EG, Gunner MR. Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins. Biophys J 2002;83:1731-1748.
-
(2002)
Biophys J
, vol.83
, pp. 1731-1748
-
-
Georgescu, R.E.1
Alexov, E.G.2
Gunner, M.R.3
-
87
-
-
2442442434
-
Long-range nature of the interactions between titratable groups in Bacillus agaradhaerens family 11 xylanase: PH titration of B. agaradhaerens xylanase
-
Betz M, Lohr F, Wienk H, Ruterjans H. Long-range nature of the interactions between titratable groups in Bacillus agaradhaerens family 11 xylanase: pH titration of B. agaradhaerens xylanase. Biochemistry 2004;43:5820-5831.
-
(2004)
Biochemistry
, vol.43
, pp. 5820-5831
-
-
Betz, M.1
Lohr, F.2
Wienk, H.3
Ruterjans, H.4
-
88
-
-
0034886835
-
Ionization properties of titratable groups in ribonuclease T-1 - I. pK(a) values in the native state determined by two-dimensional heteronuclear NMR spectroscopy
-
Spitzner N, Lohr F, Pfeiffer S, Koumanov A, Karshikoff A, Ruterjans H. Ionization properties of titratable groups in ribonuclease T-1 - I. pK(a) values in the native state determined by two-dimensional heteronuclear NMR spectroscopy. Eur Biophys J Biophys Lett 2001;30:186-197.
-
(2001)
Eur Biophys J Biophys Lett
, vol.30
, pp. 186-197
-
-
Spitzner, N.1
Lohr, F.2
Pfeiffer, S.3
Koumanov, A.4
Karshikoff, A.5
Ruterjans, H.6
-
89
-
-
0037228089
-
Nuclear magnetic resonance studies on the pK(a) values and interaction of ionizable groups in bromelain inhibitor VI from pineapple stem
-
Hatano K, Kojima M, Tanokura M, Takahashi K. Nuclear magnetic resonance studies on the pK(a) values and interaction of ionizable groups in bromelain inhibitor VI from pineapple stem. Biol Chem 2003;384:93-104.
-
(2003)
Biol Chem
, vol.384
, pp. 93-104
-
-
Hatano, K.1
Kojima, M.2
Tanokura, M.3
Takahashi, K.4
-
90
-
-
0035451052
-
What axe the dielectric "constants" of proteins and how to validate electrostatic models?
-
Schutz CN, Warshel A. What axe the dielectric "constants" of proteins and how to validate electrostatic models? Proteins 2001;44:400-417.
-
(2001)
Proteins
, vol.44
, pp. 400-417
-
-
Schutz, C.N.1
Warshel, A.2
-
91
-
-
0032516494
-
Calculations of electrostatic interactions and pK(a)s in the active site of Escherichia coli thioredoxin
-
Dillet V, Dyson HJ, Bashford D. Calculations of electrostatic interactions and pK(a)s in the active site of Escherichia coli thioredoxin. Biochemistry 1998;37:10298-10306.
-
(1998)
Biochemistry
, vol.37
, pp. 10298-10306
-
-
Dillet, V.1
Dyson, H.J.2
Bashford, D.3
-
92
-
-
0035816224
-
Structure, dynamics and electrostatics of the active site of glutaredoxin 3 from Escherichia coli: Comparison with functionally related proteins
-
Foloppe N, Sagemark J, Nordstrand K, Berndt KD, Nilsson L. Structure, dynamics and electrostatics of the active site of glutaredoxin 3 from Escherichia coli: comparison with functionally related proteins. J Mol Biol 2001;310:449-470.
-
(2001)
J Mol Biol
, vol.310
, pp. 449-470
-
-
Foloppe, N.1
Sagemark, J.2
Nordstrand, K.3
Berndt, K.D.4
Nilsson, L.5
-
93
-
-
0030023620
-
Ionization equilibria for side-chain carboxyl groups in oxidized and reduced human thioredoxin and in the complex with its target peptide from the transcription factor NF kappa B
-
Qin J, Clore GM, Gronenborn AM. Ionization equilibria for side-chain carboxyl groups in oxidized and reduced human thioredoxin and in the complex with its target peptide from the transcription factor NF kappa B. Biochemistry 1996;35:7-13.
-
(1996)
Biochemistry
, vol.35
, pp. 7-13
-
-
Qin, J.1
Clore, G.M.2
Gronenborn, A.M.3
-
94
-
-
0032898499
-
Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease
-
Trylska J, Antosiewicz J, Geller M, Hodge CN, Klabe RM, Head MS, Gilson MK. Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease. Protein Sci 1999;8:180-195.
-
(1999)
Protein Sci
, vol.8
, pp. 180-195
-
-
Trylska, J.1
Antosiewicz, J.2
Geller, M.3
Hodge, C.N.4
Klabe, R.M.5
Head, M.S.6
Gilson, M.K.7
-
96
-
-
0026005186
-
Human immunodeficiency virus-1 protease, 2. Use of pH rate studies and solvent kinetic isotope effects to elucidate details of chemical mechanism
-
Hyland LJ, Tomaszek TA, Meek TD. Human immunodeficiency virus-1 protease, 2. Use of pH rate studies and solvent kinetic isotope effects to elucidate details of chemical mechanism. Biochemistry 1991;30:8454-8463.
-
(1991)
Biochemistry
, vol.30
, pp. 8454-8463
-
-
Hyland, L.J.1
Tomaszek, T.A.2
Meek, T.D.3
-
97
-
-
0026325601
-
Kinetic-studies of human-immunodeficiency-virus type-1 protease and its active-site hydrogen-bond mutant A28s
-
Ido E, Han HP, Kezdy FJ, Tang J. Kinetic-studies of human- immunodeficiency-virus type-1 protease and its active-site hydrogen-bond mutant A28s. J Biol Chem 1991;266:24359-24366.
-
(1991)
J Biol Chem
, vol.266
, pp. 24359-24366
-
-
Ido, E.1
Han, H.P.2
Kezdy, F.J.3
Tang, J.4
-
98
-
-
0028983182
-
Pk(a) values of carboxyl groups in the native and denatured states of barnase - The Pk(a) values of the denatured state are on average 0.4 units lower than those of model compounds
-
Oliveberg M, Arcus VL, Fersht AR. Pk(a) values of carboxyl groups in the native and denatured states of barnase-the Pk(a) values of the denatured state are on average 0.4 units lower than those of model compounds. Biochemistry 1995;34:9424-9433.
-
(1995)
Biochemistry
, vol.34
, pp. 9424-9433
-
-
Oliveberg, M.1
Arcus, V.L.2
Fersht, A.R.3
-
99
-
-
0017292056
-
The alpha-helix as an eletric macrodipole
-
Wada A. The alpha-helix as an eletric macrodipole. Adv Biophys 1976;9:1-63.
-
(1976)
Adv Biophys
, vol.9
, pp. 1-63
-
-
Wada, A.1
-
100
-
-
0028886558
-
Ionization of cysteine residues at the termini of model alpha-helical peptides-relevance to unusual thiol Pk(a) values in proteins of the thioredoxin family
-
Kortemme T, Creighton TE. Ionization of cysteine residues at the termini of model alpha-helical peptides-relevance to unusual thiol Pk(a) values in proteins of the thioredoxin family. J Mol Biol 1995;253:799-812.
-
(1995)
J Mol Biol
, vol.253
, pp. 799-812
-
-
Kortemme, T.1
Creighton, T.E.2
-
102
-
-
0032505872
-
Characterization of pK(a) values and titration shifts in the cytotoxic ribonuclease alpha-sarcin by NMR. Relationship between electrostatic interactions, structure, and catalytic function
-
Perez-Canadillas JM, Campos-Olivas R, Lacadena J, del Pozo AM, Gavilanes JG, Santoro J, Rico M, Bruix M. Characterization of pK(a) values and titration shifts in the cytotoxic ribonuclease alpha-sarcin by NMR. Relationship between electrostatic interactions, structure, and catalytic function. Biochemistry 1998;37:15865-15876.
-
(1998)
Biochemistry
, vol.37
, pp. 15865-15876
-
-
Perez-Canadillas, J.M.1
Campos-Olivas, R.2
Lacadena, J.3
Del Pozo, A.M.4
Gavilanes, J.G.5
Santoro, J.6
Rico, M.7
Bruix, M.8
-
103
-
-
0031552588
-
The role of Glu73 of barnase in catalysis and the binding of barstar
-
Schreiber G, Frisch C, Fersht AR. The role of Glu73 of barnase in catalysis and the binding of barstar. J Mol Biol 1997;270:111-122.
-
(1997)
J Mol Biol
, vol.270
, pp. 111-122
-
-
Schreiber, G.1
Frisch, C.2
Fersht, A.R.3
-
104
-
-
0037305552
-
On the evaluation and optimization of protein X-ray structures for pKa calculations
-
Nielsen JE, McCammon JA. On the evaluation and optimization of protein X-ray structures for pKa calculations. Protein Sci 2003;12:313-326.
-
(2003)
Protein Sci
, vol.12
, pp. 313-326
-
-
Nielsen, J.E.1
McCammon, J.A.2
-
105
-
-
0041707971
-
A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: Application to E. coli ribonuclease H1
-
Babu CS, Dudev T, Casareno R, Cowan JA, Lim C. A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: application to E. coli ribonuclease H1. J Am Chem Soc 2003;125:9318-9328.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 9318-9328
-
-
Babu, C.S.1
Dudev, T.2
Casareno, R.3
Cowan, J.A.4
Lim, C.5
-
106
-
-
0035964164
-
Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase
-
Joshi MD, Sidhu G, Nielsen JE, Brayer GD, Withers SG, McIntosh LP. Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase. Biochemistry 2001;40:10115-10139.
-
(2001)
Biochemistry
, vol.40
, pp. 10115-10139
-
-
Joshi, M.D.1
Sidhu, G.2
Nielsen, J.E.3
Brayer, G.D.4
Withers, S.G.5
McIntosh, L.P.6
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