-
1
-
-
0020491251
-
A geometric approach to macromolecule-ligand interactions
-
Kuntz, I.D., Blaney, J.M., Oatley, S.J., Langridge, R., Ferrin, T.E. A geometric approach to macromolecule-ligand interactions. J. Mol. Biol. 161:269-288, 1982.
-
(1982)
J. Mol. Biol.
, vol.161
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
2
-
-
84986518987
-
Molecular docking using shape descriptors
-
Shoichet, B.K., Bodian, D.L., Kuntz, I.D. Molecular docking using shape descriptors. J. Comp. Chem. 13:380-397, 1992.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 380-397
-
-
Shoichet, B.K.1
Bodian, D.L.2
Kuntz, I.D.3
-
3
-
-
84986432941
-
Automated docking with grid-based energy evaluation
-
Meng, B.C., Shoichet, B.K., Kuntz, I.D. Automated docking with grid-based energy evaluation. J. Comp. Chem. 13:505-524, 1992.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 505-524
-
-
Meng, B.C.1
Shoichet, B.K.2
Kuntz, I.D.3
-
4
-
-
0026730489
-
Structure-based strategies for drug design and discovery
-
Kuntz, I.D. Structure-based strategies for drug design and discovery. Science 257:1078-1082, 1992.
-
(1992)
Science
, vol.257
, pp. 1078-1082
-
-
Kuntz, I.D.1
-
5
-
-
1842305092
-
-
Doctoral thesis, University of California, San Francisco
-
Bodian, D. Doctoral thesis, University of California, San Francisco, 1992.
-
(1992)
-
-
Bodian, D.1
-
6
-
-
0001883597
-
Dihydrofolate reductase
-
Jurnak, F., McPherson, A. (eds.). New York: Wiley-Interscience
-
Kraut, J., Matthews, D.A. Dihydrofolate reductase. In: "Biological Macromolecules and Assemblies," Vol. 3. Jurnak, F., McPherson, A. (eds.). New York: Wiley-Interscience, 1984:1-71.
-
(1984)
Biological Macromolecules and Assemblies
, vol.3
, pp. 1-71
-
-
Kraut, J.1
Matthews, D.A.2
-
7
-
-
1842314641
-
Dihydrofolate reductase
-
Kuby, S.A. (ed.) Boston: CRC Press
-
Morrison, J.F. Dihydrofolate reductase. In: "A Study of Enzymes," Vol. 2. Kuby, S.A. (ed.) Boston: CRC Press, 1991:193-226.
-
(1991)
A Study of Enzymes
, vol.2
, pp. 193-226
-
-
Morrison, J.F.1
-
8
-
-
0021740106
-
Structure-activity relationships of dihydrofolate reductase inhibitors
-
Blaney, J.M., Hansch, C., Silipo, C., Vittoria, A. Structure-activity relationships of dihydrofolate reductase inhibitors. Chem. Rev. 84:333-407, 1984.
-
(1984)
Chem. Rev.
, vol.84
, pp. 333-407
-
-
Blaney, J.M.1
Hansch, C.2
Silipo, C.3
Vittoria, A.4
-
9
-
-
0025361947
-
Dihydrofolate reductase as a therapeutic target
-
Schweitzer, B.I., Dicker, A.P., Bertino, J.R. Dihydrofolate reductase as a therapeutic target. FASEB J. 4:2441-2452, 1990.
-
(1990)
FASEB J.
, vol.4
, pp. 2441-2452
-
-
Schweitzer, B.I.1
Dicker, A.P.2
Bertino, J.R.3
-
10
-
-
0025337442
-
Pulmonary infectious complications of human immunodeficiency virus infection. Part II
-
Murray, J.F., Mills, J. Pulmonary infectious complications of human immunodeficiency virus infection. Part II. Am. Rev. Respir. Dis. 141:1582-1598, 1990.
-
(1990)
Am. Rev. Respir. Dis.
, vol.141
, pp. 1582-1598
-
-
Murray, J.F.1
Mills, J.2
-
11
-
-
0025367398
-
AIDS-related infections
-
Mills, J., Masur, H. AIDS-related infections. Sci. Am. 263:50-57, 1990.
-
(1990)
Sci. Am.
, vol.263
, pp. 50-57
-
-
Mills, J.1
Masur, H.2
-
12
-
-
0023222307
-
Activity of antifolates against Pneumocystis carinii dihydrofolate reductase and identification of a potent new agent
-
Allegra, C.J., Kovacs, J.A., Drake, J.C., Swan, J.C., Chabner, B.A., Masur, H. Activity of antifolates against Pneumocystis carinii dihydrofolate reductase and identification of a potent new agent. J. Exp. Med. 165:926-931, 1987.
-
(1987)
J. Exp. Med.
, vol.165
, pp. 926-931
-
-
Allegra, C.J.1
Kovacs, J.A.2
Drake, J.C.3
Swan, J.C.4
Chabner, B.A.5
Masur, H.6
-
13
-
-
0024375123
-
Characterization of de novo folate synthesis of Pneumocystis carinii and Toxoplasma gondii: Potential for screening therapeutic agents
-
Kovacs, J.A., Allegra, C.J., Beaver, J., Boarman, D., Lewis, M., Parrillo, J.E., Chabner, B., Masur, H. Characterization of de novo folate synthesis of Pneumocystis carinii and Toxoplasma gondii: Potential for screening therapeutic agents. J. Infect. Dis. 160:312-320, 1989.
-
(1989)
J. Infect. Dis.
, vol.160
, pp. 312-320
-
-
Kovacs, J.A.1
Allegra, C.J.2
Beaver, J.3
Boarman, D.4
Lewis, M.5
Parrillo, J.E.6
Chabner, B.7
Masur, H.8
-
14
-
-
0027202812
-
Dihydrofolate reductase from the pathogenic fungus Pneumocystis carinii: Catalytic properties and interaction with antifolates
-
Margosiak, S.A., Appleman, J.R., Santi, D.V., Blakley, R.L. Dihydrofolate reductase from the pathogenic fungus Pneumocystis carinii: Catalytic properties and interaction with antifolates. Arch. Biochem. Biophys. 305:499-508, 1993.
-
(1993)
Arch. Biochem. Biophys.
, vol.305
, pp. 499-508
-
-
Margosiak, S.A.1
Appleman, J.R.2
Santi, D.V.3
Blakley, R.L.4
-
15
-
-
0025559674
-
Development of pentamidine analogues as new agents for the treatment of Pneumocystis carinii pneumonia
-
Tidwell, R.R., Jones, S.K., Geratz, J.D., Ohemeng, K.A., Bell, C.A., Berger, B.J., Hall, J.E. Development of pentamidine analogues as new agents for the treatment of Pneumocystis carinii pneumonia. Ann. NY Acad. Sci. 616:421-441, 1990.
-
(1990)
Ann. NY Acad. Sci.
, vol.616
, pp. 421-441
-
-
Tidwell, R.R.1
Jones, S.K.2
Geratz, J.D.3
Ohemeng, K.A.4
Bell, C.A.5
Berger, B.J.6
Hall, J.E.7
-
16
-
-
0026249747
-
Inhibition of topoisomerases from Pneumocystis carinii by aromatic dicationic molecules
-
Dykstra, C.C., Tidwell, R.R. Inhibition of topoisomerases from Pneumocystis carinii by aromatic dicationic molecules. J. Protozool. 38:78S-81S, 1991.
-
(1991)
J. Protozool.
, vol.38
-
-
Dykstra, C.C.1
Tidwell, R.R.2
-
17
-
-
0028245788
-
Prophylaxis for opportunistic infections in patients with HFV infection
-
Gallant, J.E., Moore, R.D., Chaisson, R.E. Prophylaxis for opportunistic infections in patients with HFV infection. Ann. Intern. Med. 120:932-944, 1994.
-
(1994)
Ann. Intern. Med.
, vol.120
, pp. 932-944
-
-
Gallant, J.E.1
Moore, R.D.2
Chaisson, R.E.3
-
18
-
-
0021333717
-
Pneumocystis carinii pneumonia: A comparison between patients with the acquired immunodeficiency syndrome and patients with other immunodeficiencies
-
Kovacs, J.A., Hiemenz, J.R., Macher, A.M., Stover, D., Murray, H.W., Shelhamer, J., Lane, H.C., Urmacher, C., Honig, C., Longo, D.L., Parker, M.M., Natanson, C., Parrillo, J.E., Fauci, A.S., Pizzo, P.A., Masur, H. Pneumocystis carinii pneumonia: A comparison between patients with the acquired immunodeficiency syndrome and patients with other immunodeficiencies. Ann. Intern. Med. 100:663-671, 1984.
-
(1984)
Ann. Intern. Med.
, vol.100
, pp. 663-671
-
-
Kovacs, J.A.1
Hiemenz, J.R.2
Macher, A.M.3
Stover, D.4
Murray, H.W.5
Shelhamer, J.6
Lane, H.C.7
Urmacher, C.8
Honig, C.9
Longo, D.L.10
Parker, M.M.11
Natanson, C.12
Parrillo, J.E.13
Fauci, A.S.14
Pizzo, P.A.15
Masur, H.16
-
19
-
-
0022627895
-
Trimethoprim-sulfamethoxazole or pentamidine for Pneumocystis carinii pneumonia in the acquired immunodeficiency syndrome
-
Wharton, J.M., Coleman, D.L., Wofsy, C.B., Luce, J., Blumenfeld, W., Hadley, W.K., Ingram-Drake, L., Volberding, P.A., Hopewell, P.C. Trimethoprim-sulfamethoxazole or pentamidine for Pneumocystis carinii pneumonia in the acquired immunodeficiency syndrome. Ann. Intern. Med. 105:37-44, 1986.
-
(1986)
Ann. Intern. Med.
, vol.105
, pp. 37-44
-
-
Wharton, J.M.1
Coleman, D.L.2
Wofsy, C.B.3
Luce, J.4
Blumenfeld, W.5
Hadley, W.K.6
Ingram-Drake, L.7
Volberding, P.A.8
Hopewell, P.C.9
-
20
-
-
0023242424
-
Trimetrexate for the treatment of Pneumocystis carinii pneumonia in patients with the acquired immunodeficiency syndrome
-
Allegra, C.J., Chabner, B.A., Tuazon, C.U., Ogata-Arakaki, D., Baird, B., Drake, J.C., Simmons, J.T., Lack, E.E., Shelhamer, J.H., Balis, F., Walker, R., Kovacs, J.A., Lane, H.C., Masur, H. Trimetrexate for the treatment of Pneumocystis carinii pneumonia in patients with the acquired immunodeficiency syndrome. N. Engl. J. Med. 317:978-985, 1987.
-
(1987)
N. Engl. J. Med.
, vol.317
, pp. 978-985
-
-
Allegra, C.J.1
Chabner, B.A.2
Tuazon, C.U.3
Ogata-Arakaki, D.4
Baird, B.5
Drake, J.C.6
Simmons, J.T.7
Lack, E.E.8
Shelhamer, J.H.9
Balis, F.10
Walker, R.11
Kovacs, J.A.12
Lane, H.C.13
Masur, H.14
-
21
-
-
0025037428
-
Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate
-
Davies, J.F., Delcamp, T.J., Prendergast, N.J., Ashford, V.A., Freisheim, J.H., Kraut, J. Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate. Biochemistry 29:9467-9479, 1990.
-
(1990)
Biochemistry
, vol.29
, pp. 9467-9479
-
-
Davies, J.F.1
Delcamp, T.J.2
Prendergast, N.J.3
Ashford, V.A.4
Freisheim, J.H.5
Kraut, J.6
-
22
-
-
0000899457
-
Dihydrofolate Reductase
-
Blakley, R.L., Benkovic, S.J. (eds.) New York: Wiley-Interscience
-
Blakley, R.L. Dihydrofolate Reductase. In: "Folates and Pterins: Chemistry and Biochemistry of Folates," Vol. 1. Blakley, R.L., Benkovic, S.J. (eds.) New York: Wiley-Interscience, 1984:191-253.
-
(1984)
Folates and Pterins: Chemistry and Biochemistry of Folates
, vol.1
, pp. 191-253
-
-
Blakley, R.L.1
-
23
-
-
0024306548
-
Isolation and expression of the Pneumocystis carinii dihydrofolate reductase gene
-
Edman, J.C., Edman, U., Cao, M., Lundgren, B., Kovacs, J.A., Santi, D.V. Isolation and expression of the Pneumocystis carinii dihydrofolate reductase gene. Proc. Natl. Acad. Sci. U.S.A. 86:8625-8629, 1989.
-
(1989)
Proc. Natl. Acad. Sci. U.S.A.
, vol.86
, pp. 8625-8629
-
-
Edman, J.C.1
Edman, U.2
Cao, M.3
Lundgren, B.4
Kovacs, J.A.5
Santi, D.V.6
-
24
-
-
0017411710
-
The Protein Data Bank: A computer-based archival file for macromolecular structures
-
Bernstein, F.C., Koetzle, T.F., Williams, G.J.B., Meyer, E.F., Jr., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanouchi, T., Tasumi, M. The Protein Data Bank: A computer-based archival file for macromolecular structures. J. Mol. Biol. 112:535-542, 1977.
-
(1977)
J. Mol. Biol.
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.B.3
Meyer Jr., E.F.4
Brice, M.D.5
Rodgers, J.R.6
Kennard, O.7
Shimanouchi, T.8
Tasumi, M.9
-
25
-
-
0023936327
-
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
-
DesJarlais, R., Sheridan, R.P., Seibel, G.L., Dixon, J.S., Kuntz, I.D., Venkataraghavan, R. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. J. Med. Chem. 31:722-729, 1988.
-
(1988)
J. Med. Chem.
, vol.31
, pp. 722-729
-
-
DesJarlais, R.1
Sheridan, R.P.2
Seibel, G.L.3
Dixon, J.S.4
Kuntz, I.D.5
Venkataraghavan, R.6
-
26
-
-
0000538815
-
Analytical molecular surface calculation
-
Connolly, M.L. Analytical molecular surface calculation. J. Appl. Crystallgr. 16:548-558, 1983; Connolly, M.L. Solvent-accessible surfaces of proteins and nucleic acids. Science 221:709-713, 1983.
-
(1983)
J. Appl. Crystallgr.
, vol.16
, pp. 548-558
-
-
Connolly, M.L.1
-
27
-
-
0021107965
-
Solvent-accessible surfaces of proteins and nucleic acids
-
Connolly, M.L. Analytical molecular surface calculation. J. Appl. Crystallgr. 16:548-558, 1983; Connolly, M.L. Solvent-accessible surfaces of proteins and nucleic acids. Science 221:709-713, 1983.
-
(1983)
Science
, vol.221
, pp. 709-713
-
-
Connolly, M.L.1
-
28
-
-
0027379219
-
Orientational sampling and rigid-body minimization in molecular docking
-
Meng, E.C., Gschwend, D.A., Blaney, J.M., Kuntz, I.D. Orientational sampling and rigid-body minimization in molecular docking. Proteins 17:266-278, 1993.
-
(1993)
Proteins
, vol.17
, pp. 266-278
-
-
Meng, E.C.1
Gschwend, D.A.2
Blaney, J.M.3
Kuntz, I.D.4
-
29
-
-
0023977089
-
The MIDAS display system
-
Ferrin, T.E., Huang, C.C., Jarvis, L.E., Langridge, R. The MIDAS display system. J. Mol. Graphics 6:13-27, 1988.
-
(1988)
J. Mol. Graphics
, vol.6
, pp. 13-27
-
-
Ferrin, T.E.1
Huang, C.C.2
Jarvis, L.E.3
Langridge, R.4
-
30
-
-
0014151463
-
Effect of substrate decomposition on the spectrophotometric assay of dihydrofolate reductase
-
Hillcoat, B.L., Nixon, P.F., Blakley, R.L. Effect of substrate decomposition on the spectrophotometric assay of dihydrofolate reductase. J. Med. Chem. 21:178-189, 1967.
-
(1967)
J. Med. Chem.
, vol.21
, pp. 178-189
-
-
Hillcoat, B.L.1
Nixon, P.F.2
Blakley, R.L.3
-
31
-
-
0026236239
-
Purification and properties of recombinant Pneumocystis carinii dihydrofolate reductase
-
Sirawaraporn, W.S., Edman, J.C., Santi, D.V. Purification and properties of recombinant Pneumocystis carinii dihydrofolate reductase. Protein Expr. Purif. 2:313-316, 1991.
-
(1991)
Protein Expr. Purif.
, vol.2
, pp. 313-316
-
-
Sirawaraporn, W.S.1
Edman, J.C.2
Santi, D.V.3
-
32
-
-
0030111106
-
Molecular docking towards drug discovery
-
Gschwend, D.A., Good, A.C., Kuntz, I.D. Molecular docking towards drug discovery. J. Mol. Recognit., 9:175-186, 1996.
-
(1996)
J. Mol. Recognit.
, vol.9
, pp. 175-186
-
-
Gschwend, D.A.1
Good, A.C.2
Kuntz, I.D.3
-
33
-
-
0030120054
-
Orientational sampling and rigid-body minimization in molecular docking, revisited: On-the-fly optimization and degeneracy removal
-
Gschwend, D.A., Kuntz, I.D. Orientational sampling and rigid-body minimization in molecular docking, revisited: On-the-fly optimization and degeneracy removal. J. Comput.-Aided Mol. Design 10:123-132, 1996.
-
(1996)
J. Comput.-Aided Mol. Design
, vol.10
, pp. 123-132
-
-
Gschwend, D.A.1
Kuntz, I.D.2
-
34
-
-
0027185772
-
Structure of a non-peptide inhibitor complexed with HIV-1 protease
-
Rutenber, E., Fauman E.B., Keenan, R.J., Fong, S., Furth, P.S., Ortiz de Montellano, P.R., Meng, E., Kuntz, I.D., DeCamp, D.L., Salto, R., Rosé, J.R., Craik, C.S., Stroud, R.S. Structure of a non-peptide inhibitor complexed with HIV-1 protease. J. Biol. Chem. 268:15343-15346, 1993.
-
(1993)
J. Biol. Chem.
, vol.268
, pp. 15343-15346
-
-
Rutenber, E.1
Fauman, E.B.2
Keenan, R.J.3
Fong, S.4
Furth, P.S.5
Ortiz De Montellano, P.R.6
Meng, E.7
Kuntz, I.D.8
DeCamp, D.L.9
Salto, R.10
Rosé, J.R.11
Craik, C.S.12
Stroud, R.S.13
-
35
-
-
0027522358
-
Structure-based discovery of inhibitors of thymidylate synthase
-
Shoichet, B.K., Stroud, R.M., Santi, D.V., Kuntz, I.D., Perry, K.M. Structure-based discovery of inhibitors of thymidylate synthase. Science 259:1445-1450, 1993.
-
(1993)
Science
, vol.259
, pp. 1445-1450
-
-
Shoichet, B.K.1
Stroud, R.M.2
Santi, D.V.3
Kuntz, I.D.4
Perry, K.M.5
-
36
-
-
0029594562
-
In vitro antimalarial activity of chalcones and their derivatives
-
Li, R., Chen, X., Gong, B., Dominguez, J.N., Davidson, E., Kurzban, G., Miller, R.E., Nuzum, E.O., Rosenthal, P.J., McKerrow, J.H., Kenyon, G.L., Cohen, F.E. In vitro antimalarial activity of chalcones and their derivatives. J. Med. Chem. 38:5031-5037, 1995.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 5031-5037
-
-
Li, R.1
Chen, X.2
Gong, B.3
Dominguez, J.N.4
Davidson, E.5
Kurzban, G.6
Miller, R.E.7
Nuzum, E.O.8
Rosenthal, P.J.9
McKerrow, J.H.10
Kenyon, G.L.11
Cohen, F.E.12
-
37
-
-
0025823355
-
Isothiazolone biocides: Enzyme-inhibiting pro-drugs
-
Collier, P.J., Austin, P., Gilbert, P. Isothiazolone biocides: Enzyme-inhibiting pro-drugs. Int. J. Pharmaceutics 74:195-201, 1991.
-
(1991)
Int. J. Pharmaceutics
, vol.74
, pp. 195-201
-
-
Collier, P.J.1
Austin, P.2
Gilbert, P.3
-
38
-
-
0028326185
-
Synthesis and antifungal activity of 1,3,2-benzodithiazole S-oxides
-
Klein, L.L., Yeung, C.M., Weissing, D.E., Lartey, P.A., Tanaka, S.K., Plattner, J.J., Mulford, D.J. Synthesis and antifungal activity of 1,3,2-benzodithiazole S-oxides. J. Med. Chem. 37:572-578, 1994.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 572-578
-
-
Klein, L.L.1
Yeung, C.M.2
Weissing, D.E.3
Lartey, P.A.4
Tanaka, S.K.5
Plattner, J.J.6
Mulford, D.J.7
-
39
-
-
0017821457
-
Interaction of Cibacron Blue 3G-A and related dyes with nucleotide-requiring enzymes
-
Beissner, R.S., Rudolph, F.B. Interaction of Cibacron Blue 3G-A and related dyes with nucleotide-requiring enzymes. Arch. Biochem. Biophys. 189:76-80, 1978.
-
(1978)
Arch. Biochem. Biophys.
, vol.189
, pp. 76-80
-
-
Beissner, R.S.1
Rudolph, F.B.2
-
40
-
-
0018700742
-
Interaction of dihydrofolate reductase from amethopterin-resistant Lactobacillus casei with Cibacron blue, Blue Dextran, and Affi-Gel Blue
-
Chambers, B.B., Dunlap, R.B. Interaction of dihydrofolate reductase from amethopterin-resistant Lactobacillus casei with Cibacron blue, Blue Dextran, and Affi-Gel Blue. J. Biol. Chem. 254:6515-6521, 1979.
-
(1979)
J. Biol. Chem.
, vol.254
, pp. 6515-6521
-
-
Chambers, B.B.1
Dunlap, R.B.2
|