1986-1989
66. Clore, G.M. & Gronenborn, A.M. Determination of three-dimensional structures of oligonucleotides in solution: combined use of nuclear Overhauser enhancement measurements and restrained least squares refinement in Biomolecular Stereodynamics IV (Sarma, R.H., ed.) pp. 139-155, Adenine Press, New York (1986).
67. Gronenborn, A.M. & Clore, G.M. The solution structure of RNA fragments by nuclear Overhauser enhancement measurements in Structure and Dynamics of RNA, (van Knippenberg, R.H. & Hilbers, C.W., eds.) pp. 137- 150, NATO ASI series, Plenum Press, New York (1986).
68. Gronenborn, A.M. & Clore, G.M. Overproduction of the cAMP receptor protein of Escherichia coli and expression of the engineered carboxy-terminal DNA binding domain. Biochem. J. 236, 643 (1986).
69. Clore, G.M., Gronenborn, A.M., Greipel, J. & Maass, G. The conformation of the single stranded DNA undecamer 5’d(AAGTGTGATAT) bound to single stranded DNA binding protein of Escherichia coli: a time dependent transferred nuclear Overhauser enhancement study. J. Mol. Biol. 187, 119 (1986).
70. Nilsson, L., Clore, G.M., Gronenborn, A.M., Brunger, A.T. & Karplus, M. Structure refinement of oligonucleotides by molecular dynamics with NOE interproton distance restraints: application to 5’d(CGTACG)2. J. Mol. Biol. 188, 455 (1986).
71. Clore, G.M., Gronenborn, A.M., Carlson, G. & Meyer, E.F. Stereochemistry of binding of the tetrapeptide Acetyl-Pro-Ala-Pro-TyrNH2 to porcine pancreatic elastase: combined use of two-dimensional transferred nuclear Overhauser enhancement measurements, restrained molecular dynamics, X-ray crystallography and molecular modelling. J. Mol. Biol. 190, 259 (1986).
72. Brunger, A.T., Clore, G.M., Gronenborn, A.M. & Karplus, M. Three-dimensional structures of proteins determined by molecular dynamics with interproton distance restraints: application to crambin. Proc. Natl. Acad. Sci. U.S.A. 83, 3801 (1986),
73. Clore, G.M., Brunger, A.T., Karplus, M. & Gronenborn, A.M. Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination: a model study of crambin. J. Mol. Biol. 191, 523 (1986).
74. Clore, G.M., Martin, S.R. & Gronenborn, A.M. The solution structure of human growth hormone releasing factor: combined use of circular dichroism and nuclear magnetic resonance spectroscopy. J. Mol. Biol. 191, 553 (1986).
75. Gronenborn, A.M., Clore, G.M., Schmeissner, U. & Wingfield, P. Sequence specific assignments of aromatic residues in the 1H-NMR spectrum of human interleukin-1 using site directed mutant proteins. Eur. J. Biochem. 161, 37 (1986).
76. Zarbock, J., Clore, G.M. & Gronenborn, A.M. Nuclear magnetic resonance study of the globular domain of chicken histone H5: resonance assignment and secondary structure. Proc. Natl. Acad. Sci. U.S.A. 23, 7628 (1986).
77. Minter, S.J., Clore, G.M., Gronenborn, A.M. & Davies, R.W. Cooperative DNA binding by lambda integration protein – a key component of specificity. Eur. J. Biochem. 161, 727 (1986).
78. Clore, G.M., Nilges, M., Sukumaran, D.K., Brunger, A.T., Karplus, M. & Gronenborn, A.M. The three-dimensional structure of 1-purothionin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics. EMBO J. 5, 2729 (1986).
79. MacDonald, H.B., Wingfield, P., Schmeissner, U., Shaw, A., Clore, G.M. & Gronenborn, A.M. Point mutations of human interleukin-1 with decreased receptor binding affinity. FEBS Lett. 209, 295 (1986).
80. Clore,G.M., Sukumaran, D.K., Gronenborn, A.M., Teeter, M.M., Whitlow, M. & Jones, B.L. A nuclear magnetic resonance study of the solution structure of 1-purothionin: sequential resonance assignment, secondary structure and low resolution tertiary structure. J. Mol. Biol. 193, 571 (1987).
81. Gent, M., Gronenborn, A.M., Davies, R.W. & Clore, G.M. Probing the sequence specific interaction of the cAMP receptor protein with DNA by site directed mutagenesis. Biochem. J. 242, 645 (1987).
82. Sukumaran, D.K., Clore, G.M., Preu, A., Zarbock, J. & Gronenborn, A.M. A proton nuclear magnetic resonance study of hirudin: resonance assignment and secondary structure. Biochemistry 26, 333 (1987).
83. Clore, G.M., Sukumaran, D.K., Nilges, M. & Gronenborn, A.M. The three-dimensional structure of phoratoxin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics. Biochemistry 26, 1732 (1987).
84. Brunger, A.T., Campbell, R.L., Clore, G.M., Gronenborn, A.M., Karplus, M., Petsko, G.A. & Teeter, M.M. Solution of a protein crystal structure with a model obtained from NMR interproton distance restraints. Science 235, 1049 (1987).
85. Clore, G.M., Sukumaran, D.K., Nilges, M., Zarbock, J. & Gronenborn, A.M. The conformations of hirudin in solution: a study using nuclear magnetic resonance, distance geometry and restrained molecular dynamics. EMBO J. 6, 529 (1987).
86. Clore, G.M., Nilges, M., Brunger, A.T., Karplus, M. & Gronenborn, A.M. A comparison of the restrained molecular dynamics and distance geometry methods for determining three-dimensional structures of proteins on the basis of interproton distance restraints. FEBS Lett. 213, 269 (1987).
87. Gronenborn, A.M., Bovermann, G. & Clore, G.M. A 1H-NMR study of the solution conformation of secretin: resonance assignment and secondary structure. FEBS Lett. 215, 88 (1987).
88. Clore, G.M., Gronenborn, A.M., Nilges, M., Sukumaran, D.K. & Zarbock, J. The polypeptide fold of the globular domain of histone H5 in solution: a study using nuclear magnetic resonance, distance geometry and restrained molecular dynamics. EMBO J. 6, 1833 (1987).
89. Nilges, M., Clore, G.M., Gronenborn, A.M., Brunger, A.T., Karplus, M. & Nilsson, L. Refinement of the solution structure of the DNA hexamer 5’d(GCATGC)2: combined use of nuclear magnetic resonance and restrained molecular dynamics. Biochemistry 26, 3718 (1987).
90. Nilges, M., Clore, G.M., Gronenborn, A.M., Piel, N. & McLaughlin, L.W. Refinement of the solution structure of the DNA decamer 5’d(CTGGATCCAG)2: combined use of nuclear magnetic resonance and restrained molecular dynamics. Biochemistry 26, 3734 (1987).
91. Wingfield, P., Graber, P., Movva, N.R., Gronenborn, A.M., & McDonald, H.R. N-terminal methionylated interleukin-1 has reduced receptor binding activity. FEBS Lett. 215, 160 (1987).
92. Shih,D.T., Perutz, F., Gronenborn, A.M. & Clore, G.M. Histidine proton resonances of carbonmonoxyhaemoglobins A and Cowtown in Chloride-free buffer. J. Mol. Biol. 195, 453 (1987).
93. Gent, M.E., Gartner, S., Gronenborn, A.M., Sandulache, R. & Clore, G.M. Site-directed mutants of the cAMP receptor protein – DNA binding of five mutant proteins. Protein Engineering 3, 201 (1987).
94. Clore, G.M., Gronenborn, A.M., Nilges, M. & Ryan, C.A. The three-dimensional structure of potato carboxypeptidase inhibitor in solution: a study using nuclear magnetic resonance, distance geometry and restrained molecular dynamics. Biochemistry 26, 8012 (1987).
95. Jansen, C., Gronenborn, A.M. & Clore, G.M. The binding of the cAMP receptor protein to synthetic DNA sites containing permutations in the consensus sequence TGTGA. Biochem. J. 246, 227 (1987).
96. Nilges, M., Clore, G.M. & Gronenborn, A.M. A simple method for delineating well-defined and variable regions in protein structures determined from interproton distance data. FEBS Lett. 219, 11 (1987).
97. Clore, G.M., Gronenborn, A.M., Kjær, M. & Poulsen, F.M. The determination of the three-dimensional structure of barley serine proteinase inhibitor 2 by nuclear magnetic resonance, distance geometry and restrained molecular dynamics. Protein Engineering 1, 305 (1987).
98. Clore, G.M., Gronenborn, A.M., James, M.N.G., Kjær, M., McPhalen,C.A. & Poulsen, F.M. Comparison of the solution and X-ray structures of barley serine proteinase inhibitor 2. Protein Engineering 1, 313 (1987).
99. Clore, G.M. & Gronenborn, A.M. Determination of three-dimensional structures of proteins in solution by nuclear magnetic resonance spectroscopy. Protein Engineering 1, 275 (1987).
100. Wingfield, P., Mattaliano, R., MacDonald, H.R., Craig, S., Clore, G.M., Gronenborn, A.M. & Schmeissner, U. Recombinant derived interleukin-1 stabilized against specific deamidation. Protein Engineering 5, 413 (1987).
101. Bax, A., Sklenar, V., Clore, G.M. & Gronenborn, A.M. Water suppression in two-dimensional spin-locked NMR experiments using a novel phase cycling procedure. J. Am. Chem. Soc. 109, 6511 (1987).
102. Brünger, A.T., Clore, G.M., Gronenborn, A.M. & Karplus, M. Solution conformations of human growth hormone releasing factor: comparison of the restrained molecular dynamics and distance geometry methods for a system without long range distance data. Protein Engineering 5, 399 (1987).
103. Oschkinat, H., Clore, G.M., Nilges, M. & Gronenborn, A.M. Application of the z-COSY technique to macromolecules: measuring coupling constants with a modified pulse sequence. J. Magn. Reson. 75, 534 (1987).
104. Meyer, E.F., Clore, G.M., Gronenborn, A.M. & Hansen, H.A.S. Analysis of an enzyme-substrate complex by X-ray crystallography and transferred nuclear Overhauser enhancement measurements: porcine pancreatic elastase and a hexapeptide. Biochemistry 27, 725 (1987).
105. Clore, G.M., Nilges, M., Brünger, A.T. & Gronenborn, A.M. Determination of the backbone conformation of secretin by restrained molecular dynamics on the basis of interproton distance data. Eur. J. Biochem. 171, 479 (1988).
106. Scalfi Happ, C., Happ, E., Nilges, M., Gronenborn, A.M. & Clore, G.M. Refinement of the solution structure of the ribonucleotide 5’r(GCAUGC)2: combined use of nuclear magnetic resonance and restrained molecular dynamics. Biochemistry 27, 1735 (1988).
107. Clore, G.M., Oschkinat, H., McLaughlin, L.W., Benseler, F., Scalfi Happ, C., Happ, E. & Gronenborn, A.M. Refinement of the solution structure of the DNA dodecamer 5’d(CGCGPATTCGCG)2 containing a stable purine-thymine base pair: combined use of nuclear magnetic resonance and restrained molecular dynamics. Biochemistry 27, 4185 (1988).
108. Allet, B., Payton, M., Mattaliano, R.J., Gronenborn, A.M., Clore, G.M. & Wingfield, P.T. The purification and characterization of the bacteriophage Mu DNA-binding protein ner. Gene 65, 259 (1988).
109. Gronenborn, A.M., Sandulache, R., Gärtner, S. & Clore, G.M. Mutations in the cyclic AMP binding site of the cyclic AMP receptor protein of Escherichia coli. Biochem. J. 253, 801 (1988).
110. Cieslar, C., Clore, G.M. & Gronenborn, A.M. Automatic phasing of pure phase absorption two-dimensional NMR spectra. J. Magn. Reson. 79, 154 (1988).
111. Cieslar, C., Clore, G.M. & Gronenborn, A.M. Computer aided sequential assignment of protein 1H-NMR spectra. J. Magn.Reson. 80, 119 (1988).
112. Nilges, M., Clore, G.M. and Gronenborn, A.M. Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations. FEBS Lett 229, 317 (1988).
113. Oschkinat, H., Griesinger, C., Kraulis, P.J., Sørensen, O.W., Ernst, R.R., Gronenborn, A.M. & Clore, G.M. Three-dimensional NMR spectroscopy of a protein in solution. Nature 332, 374 (1988).
114. Nilges, M., Gronenborn, A.M., Brünger, A.T. & Clore, G.M. Determination of three-dimensional structures of proteins by simulated annealing with interproton distance restraints: application to crambin, potato carboxypeptidase inhibitor and barley serine proteinase inhibitor 2. Protein Engineering 2, 27 (1988).
115. Oschkinat, H., Clore, G.M. & Gronenborn, A.M. A two-dimensional nuclear Overhauser enhancement experiment using semiselective soft pulses and its applications to proteins. J. Magn. Reson. 78, 371 (1988)
116. Holak, T.A., Engström, Å, Kraulis, P.J., Lindeberg, G., Bennich, H., Jones, T.A., Gronenborn, A.M. & Clore, G.M. The solution conformation of the antibacterial peptide cecropin A: a nuclear magnetic resonance and dynamical simulated annealing study. Biochemistry 27, 7620 (1988).
117. Holak, T.A., Nilges, M., Prestegard, H., Gronenborn, A.M. & Clore, G.M. Three-dimensional structure of acyl carrier protein in solution determined by nuclear magnetic resonance and the combined use of dynamical simulated annealing and distance geometry. Eur. J. Biochem. 175, 9 (1988).
118. Gronenborn, A.M., Wingfield, P.T., McDonald, H.R., Schmeissner, U. & Clore, G.M. Site directed mutants of human interleukin-1: a 1H-NMR and receptor binding study. FEBS Lett. 231, 135 (1988).
119. Scalfi Happ, C., Happ, E., Clore, G.M. & Gronenborn, A.M. Refinement of the solution structure of the RNA-DNA hybrid 5′[r(GCA)d(TGC)]2: combined use of nuclear magnetic resonance and restrained molecular dynamics. FEBS Lett. 236, 62 (1988).
120. Clore, G.M., Bax, A., Wingfield, P.T. & Gronenborn, A.M. Long range 15N-1H correlation as an aid to sequential proton resonance assignment of proteins: application to the DNA binding protein ner from phage Mu. FEBS Lett. 238, 17 (1988).
121. Zarbock, J., Gennaro, R., Romeo, D., Clore, G.M. & Gronenborn, A.M. A proton nuclear magnetic resonance study of the conformation of bovine anaphylatoxin C5a in solution. FEBS Lett. 238, 289 (1988).
122. Nilges, M., Clore, G.M. & Gronenborn, A.M. Determination of three-dimensional structures of proteins from interproton distance data by dynamical simulated annealing from a random array of atoms. FEBS Letters 239, 129 (1988).
123. Garin, J., Vignais, P.V., Gronenborn, A.M., Clore, G.M., Gao, Z. & Baeuerlein, E. 1H-NMR studies on nucleotide binding to the catalytic sites of bovine mitochondrial F1-ATPase. FEBS Letters 242, 178 (1988).
124. Clore, G.M., Nilges, M. & Gronenborn, A.M. Determination of three-dimensional structures of proteins in solution by dynamical simulated annealing with interproton distances derived from nuclear magnetic resonance spectroscopy. (1989) In: Computer-Aided Molecular Design (Richards, W.G. ed.), pp. 203-219, IBC Technical Services, London. (1988).
125. Gronenborn, A. M. & Clore, G.M. Determination of three-dimensional structures of proteins in solution by nuclear magnetic resonance spectroscopy. Protein Sequences & Data Analysis 2, 1 (1989).
126. Driscoll, P.C., Clore, G.M., Beress, L. & Gronenborn, A.M. A proton nuclear magnetic resonance study of the anti-hypertensive and anti-viral protein BDS-I from the sea anemone Anemonia sulcata: sequential and stereospecific assignment and secondary structure. Biochemistry 28, 2178 (1989).
127. Driscoll, P.C., Gronenborn, A.M., Beress, L. & Clore, G.M. Determination of the three-dimensional structure of the anti-hypertensive and anti-viral protein BDS-I from the sea anemone Anemonia sulcata: a study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing. Biochemistry 28, 2188 (1989).
128. Oschkinat, H., Cieslar, C., Gronenborn, A.M. & Clore, G.M. Three-dimensional homonuclear Hartmann Hahn-Nuclear Overhauser enhancement spectroscopy in H2O and its application to proteins. J. Magn. Reson. 81, 212 (1989).
129. Folkers, P.J.M., Clore, G.M., Dodt, J., Köhler, S. & Gronenborn, A.M. The solution structure of recombinant hirudin and the Lys47Glu mutant: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study. Biochemistry 28, 2601 (1989).
130. Gronenborn, A.M., Bax, A., Wingfield, P.T. & Clore, G.M. A powerful method of sequential proton resonance assignment in proteins using relayed 15N-1H multiple quantum coherence spectroscopy. FEBS Letters 243, 93 (1989).
131. Driscoll, P.C., Gronenborn, A.M. & Clore, G.M. The influence of stereospecific assignments on the determination of three-dimensional structures of proteins by nuclear magnetic resonance spectroscopy: application to the sea anemone protein BDS-I. FEBS Lett. 243, 223 (1989).
132. Clore, G.M. & Gronenborn, A.M. Determination of three-dimensional structures of proteins and nucleic acids in solution by nuclear magnetic resonance spectroscopy. CRC Critical Reviews in Biochemistry and Molecular Biology 24, 479 (1989).
133. Wingfield, P.T., Graber, P., Shaw, A.R., Gronenborn, A.M., Clore, G.M. & McDonald, H.R. Preparation, characterization and biochemical application of mutant interleukin-1s with surface accessible cysteine residues. Eur. J. Biochem. 179, 565 (1989).
134. Oschkinat, H., Cieslar, C., Holak, T.A., Clore, G.M. & Gronenborn, A.M. Practical and theoretical aspects of three-dimensional homonuclear Hartmann Hahn-nuclear Overhauser enhancement spectroscopy of proteins. J. Magn. Reson. 83, 450 (1989).
135. Gronenborn, A. M., Wingfield, P. T. & Clore, G. M. Determination of the secondary structure of the DNA binding protein Ner from phage Mu using 1H homonuclear and 15N-1H heteronuclear NMR spectroscopy. Biochemistry 28, 5081 (1989).
136. Gronenborn, A.M. & Clore, G.M. Analysis of the relative contributions of the nuclear Overhauser interproton distance restraints and the empirical energy function in the calculation of oligonucleotide structures using restrained molecular dynamics. Biochemistry 28, 5978 (1989).
137. Forman-Kay, J.D., Clore, G.M., Driscoll, P.C., Wingfield, P.T., Richards, F.M. & Gronenborn, A.M. A proton nuclear magnetic resonance assignment and secondary structure determination of recombinant human thioredoxin. Biochemistry 28, 7088 (1989).
138. Kraulis, P.J., Clore, G.M., Nilges, M., Jones, T.A., Pettersson, G., Knowles, J. & Gronenborn, A.M. Determination of the three-dimensional solution structure of the C-terminal domain of cellobiohydrolase I from Trichoderma reesei: a study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing. Biochemistry 28, 7241 (1989).
139. Clore, G.M. & Gronenborn, A.M. How accurately can interproton distances in macromolecules really be determined by full relaxation matrix analysis of nuclear Overhauser enhancement data? J. Magn. Reson. 84, 389 (1989).
140. Marion, D., Driscoll, P.C., Kay, L.E., Wingfield, P.T., Bax, A., Gronenborn, A.M. & Clore, G.M. Overcoming the overlap problem in the assignment of 1H-NMR spectra of larger proteins using three-dimensional heteronuclear 1H-15N Hartmann-Hahn and nuclear Overhauser-multiple quantum coherence spectroscopy: application to interleukin-1. Biochemistry 28, 6150 (1989).
141. Clore, G.M., Appella, E., Yamada, M., Matsushima, K. & Gronenborn, A.M. Determination of the secondary structure of interleukin-8 by nuclear magnetic resonance spectroscopy. J. Biol. Chem. 264, 18907 (1989).
142. Clore, G.M. and Gronenborn, A.M. Extending the limits of protein structure determination by NMR In: “Theoretical Biochemistry and Molecular Biophysics: a Comprehensive Survey”, (Beveridge, D.L. and Lavery, L., eds.), vol. 2, pp. 1-16, Adenine Press, New York (1989).
143. Nilges, M., Clore, G.M. & Gronenborn, A.M. 1H-NMR stereospecific assignments by conformational database searches. Biopolymers 29, 813 (1989).