Cấu trúc và động lực học của sự liên kết ligand với protein: Escherichia coli dihydrofolate reductase-trimethoprim, một hệ thống thuốc-receptor

10.1021/bk-1984-0251.ch011

10.1126/science.3975616

Blakley R. L., 1969, The Biochemistry of Folic Acid and Related Pteridines

Friedkin M., 1973, Thymidylate synthetase, Adv. Enzymol., 38, 235

10.1016/S1054-3589(08)60007-1

Burchall J., 1965, Inhibitors binding analysis of dihydrofolate reductases from various species, Mol. Pharmacol., 1, 126

Baker B. R., 1970, Medicinal Chemistry, 196

Huennekens F. M., 1976, Dihydrofolate reductase, Methods Cancer Res., 13, 199

10.1002/med.2610010305

10.1016/S0079-6468(08)70332-1

Mathews D. A., 1985, Refined crystal structures of Escherichia coli and chicken liver dihydrofolate reducatase containing bound trimethoprim, J. Biol. Chem., 260, 381, 10.1016/S0021-9258(18)89743-5

10.1126/science.17920

Matthews D. A., 1978, Dihydrofolate reductase from Lactobacillus casei: X‐ray structure of the enzyme methotrexate NADPH complex, J. Biol. Chem., 253, 6946, 10.1016/S0021-9258(17)38012-2

Mathews D. A., 1979, Dihydrofolate reductase from Lactobacillus casei: stereochemistry of NADPH binding, J. Biol. Chem., 254, 4144, 10.1016/S0021-9258(18)50708-0

Volz K. W., 1982, Crystal structure of avian dihydrofolate reductase containing phenyltriazine and NADPH, J. Biol. Chem., 257, 2528, 10.1016/S0021-9258(18)34956-1

Bolin J. T., 1982, Crystal structure of E. coli and L casei dihydrofolate reductase refined at 1.7 Å resolution. I. General features and binding of methotrexate, J. Biol. Chem., 257, 13650, 10.1016/S0021-9258(18)33497-5

Filman D. J., 1982, Crystal structure of E. coli and L. casei dihydrofolate reductase refined at 1.7 Å resolution for catalysis, J. Biol. Chem., 257, 13663, 10.1016/S0021-9258(18)33498-7

Hagler A. T. Theoretical simulation of conformation energetic and dynamics of peptides in conformation in biology & drug design. “The Peptides in conformation in biology & drug design. The Peptides.” Vol. 7. Hruby V. J. Meienhofer J. eds.1985:213–299.

10.1021/ja00824a004

10.1021/ja00824a005

10.1021/ja00512a001

10.1021/ja00512a002

10.1021/ja00512a003

Dauber‐Osguthorpe P. Osguthorpe D. J. Wolff J. Hagler A. T. Derivation of a valence force field for peptides and proteins. in preparation.

Hill T. L. An Introduction to Statistical Thermodynamics. Reading MA: Addison‐Wesley 1960.

10.1021/ja00517a009

10.1002/ijch.198600029

10.1002/bip.360240509

10.1021/ja00342a059

10.1016/S0022-2836(77)80062-4

10.1021/bi00623a016

10.1016/S0022-2836(77)80112-5

10.1016/0022-2836(80)90262-4

10.1016/S0021-9258(19)68195-0

10.1107/S0567740882008346

10.1107/S010876818300275X

10.1107/S0567740882006153

10.1016/0022-2836(85)90074-9

Schlegel H. B., 1981, Models for the binding of methotrexate to Escherichia coli dihydrofolate reductase. Direct effect of carboxylate of ASP 27 Upon UV spectrum of methotrexate, Mol Pharmacol., 20, 154

10.1021/ja00424a009

Dauber‐Osguthorpe P. Roberts V. A. Osguthorpe D. J. Wolff J. Hagler A. T. Unpublished results.

10.1021/ja00387a046

10.1021/ja00273a048

10.1126/science.3810157