-
2
-
-
21544474149
-
Structural biology and drug discovery
-
Congreve M., Murray C.W., Blundell T.L. Structural biology and drug discovery. Drug Discov. Today, 2005, 10:895-907.
-
(2005)
Drug Discov. Today,
, vol.10
, pp. 895-907
-
-
Congreve, M.1
Murray, C.W.2
Blundell, T.L.3
-
3
-
-
33745161050
-
Structural biology and drug discovery
-
Scapin G. Structural biology and drug discovery. Curr. Pharm. Design, 2006, 12:2087-2097.
-
(2006)
Curr. Pharm. Design,
, vol.12
, pp. 2087-2097
-
-
Scapin, G.1
-
4
-
-
32544452857
-
A critical appraisal of structure-based drug design
-
Tintelnot-Blomley M., Lewis R.A. A critical appraisal of structure-based drug design. IDrugs, 2006, 9:114-118.
-
(2006)
IDrugs,
, vol.9
, pp. 114-118
-
-
Tintelnot-Blomley, M.1
Lewis, R.A.2
-
5
-
-
6444234760
-
A guide to drug discovery: the role of the medicinal chemist in drug discovery - then and now
-
Lombardino J.G., Lowe J.A. A guide to drug discovery: the role of the medicinal chemist in drug discovery - then and now. Nat. Rev. Drug Discov. 2004, 3:853-862.
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 853-862
-
-
Lombardino, J.G.1
Lowe, J.A.2
-
6
-
-
22544461068
-
Recent applications of protein crystallography and structure-guided drug design
-
Williams S.P., Kuyper L.F., Pearce K.H. Recent applications of protein crystallography and structure-guided drug design. Curr. Opin. Chem. Biol. 2005, 9:371-380.
-
(2005)
Curr. Opin. Chem. Biol.
, vol.9
, pp. 371-380
-
-
Williams, S.P.1
Kuyper, L.F.2
Pearce, K.H.3
-
7
-
-
0036051992
-
High-throughput crystallography for lead discovery in drug design
-
Blundell T.L., Jhoti H., Abell C. High-throughput crystallography for lead discovery in drug design. Nat. Rev. Drug Discov. 2002, 1:45-54.
-
(2002)
Nat. Rev. Drug Discov.
, vol.1
, pp. 45-54
-
-
Blundell, T.L.1
Jhoti, H.2
Abell, C.3
-
8
-
-
33847381100
-
A decade of fragment-based drug design: strategic advances and lessons learned
-
Hajduk P.J., Greer J. A decade of fragment-based drug design: strategic advances and lessons learned. Nat. Rev. Drug Discov. 2006, 6:211-219.
-
(2006)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
9
-
-
0037010197
-
Progress in the analysis of membrane protein structure and function
-
Werten P.J.L., Remigy H.W., de Groot B.L., Fotiadis D., Philippsen A., Stahlberg H., Grubmuller H., Engel A. Progress in the analysis of membrane protein structure and function. FEBS Lett. 2002, 529:65-72.
-
(2002)
FEBS Lett.
, vol.529
, pp. 65-72
-
-
Werten, P.J.L.1
Remigy, H.W.2
de Groot, B.L.3
Fotiadis, D.4
Philippsen, A.5
Stahlberg, H.6
Grubmuller, H.7
Engel, A.8
-
10
-
-
33751290908
-
Structural genomics for membrane proteins
-
Lundström K. Structural genomics for membrane proteins. Cell. Mol. Life Sci. 2006, 63:2597-2607.
-
(2006)
Cell. Mol. Life Sci.
, vol.63
, pp. 2597-2607
-
-
Lundström, K.1
-
11
-
-
0001266102
-
3-Dimensional model of the myoglobin molecule obtained by X-ray analysis
-
Kendrew J.C., Bodo G., Dintzis H.M., Parrish R.G., Wyckoff H., Phillips D.C. 3-Dimensional model of the myoglobin molecule obtained by X-ray analysis. Nature, 1958, 181:662-666.
-
(1958)
Nature,
, vol.181
, pp. 662-666
-
-
Kendrew, J.C.1
Bodo, G.2
Dintzis, H.M.3
Parrish, R.G.4
Wyckoff, H.5
Phillips, D.C.6
-
12
-
-
36949066642
-
Structure of haemoglobin-3-dimensional fourier synthesis at 5.5-A resolution, obtained by X-ray analysis
-
Perutz M.F., Rossmann M.G., Cullis A.F., Muirhead H., Will G., North A.C.T. Structure of haemoglobin-3-dimensional fourier synthesis at 5.5-A resolution, obtained by X-ray analysis. Nature, 1960, 185:416-422.
-
(1960)
Nature,
, vol.185
, pp. 416-422
-
-
Perutz, M.F.1
Rossmann, M.G.2
Cullis, A.F.3
Muirhead, H.4
Will, G.5
North, A.C.T.6
-
13
-
-
0026122183
-
A brief history of protein crystal growth
-
McPherson A. A brief history of protein crystal growth. J. Cryst. Growth, 1991, 110:1-10.
-
(1991)
J. Cryst. Growth,
, vol.110
, pp. 1-10
-
-
McPherson, A.1
-
14
-
-
0000474342
-
Evidence for 2-chain helix in crystalline structure of sodium deoxyribonucleate
-
Franklin R.E., Gosling R.G. Evidence for 2-chain helix in crystalline structure of sodium deoxyribonucleate. Nature, 1953, 172:156-157.
-
(1953)
Nature,
, vol.172
, pp. 156-157
-
-
Franklin, R.E.1
Gosling, R.G.2
-
15
-
-
36949070206
-
Helical structure of crystalline deoxypentose nucleic acid
-
Wilkins M.H.F., Seeds W.E., Stokes A.R., Wilson H.R. Helical structure of crystalline deoxypentose nucleic acid. Nature, 1953, 172:759-762.
-
(1953)
Nature,
, vol.172
, pp. 759-762
-
-
Wilkins, M.H.F.1
Seeds, W.E.2
Stokes, A.R.3
Wilson, H.R.4
-
16
-
-
0038497542
-
Molecular structure of nucleic acids - a structure for deoxyribose nucleic acid
-
Watson J.D., Crick F.H.C. Molecular structure of nucleic acids - a structure for deoxyribose nucleic acid. Nature, 1953, 171:737-738.
-
(1953)
Nature,
, vol.171
, pp. 737-738
-
-
Watson, J.D.1
Crick, F.H.C.2
-
18
-
-
0022401514
-
Structure of a human common cold virus and functional relationship to other picornaviruses
-
Rossmann M.G., Arnold E., Erickson J.W., Frankenberger E.A., Griffith J.P., Hecht H.J., Johnson J.E., Kamer G., Luo M., Mosser A.G., Rueckert R.R., Sherry B., Vriend G. Structure of a human common cold virus and functional relationship to other picornaviruses. Nature 1985, 317:145-153.
-
(1985)
Nature
, vol.317
, pp. 145-153
-
-
Rossmann, M.G.1
Arnold, E.2
Erickson, J.W.3
Frankenberger, E.A.4
Griffith, J.P.5
Hecht, H.J.6
Johnson, J.E.7
Kamer, G.8
Luo, M.9
Mosser, A.G.10
Rueckert, R.R.11
Sherry, B.12
Vriend, G.13
-
19
-
-
0022348605
-
Structure of the protein subunits in the photosynthetic reaction center of Rhodopseudomonas viridis at 3A ring; resolution
-
Deisenhofer J., Epp O., Miki K., Huber R., Michel H. Structure of the protein subunits in the photosynthetic reaction center of Rhodopseudomonas viridis at 3Å resolution. Nature, 1985, 318:618-624.
-
(1985)
Nature,
, vol.318
, pp. 618-624
-
-
Deisenhofer, J.1
Epp, O.2
Miki, K.3
Huber, R.4
Michel, H.5
-
20
-
-
0028114231
-
Structure at 2.8 A ring; resolution of F1-ATPase from bovine heart mitochondria
-
Abrahams J.P., Leslie A.G., Lutter R., Walker J.E. Structure at 2.8 Å resolution of F1-ATPase from bovine heart mitochondria. Nature, 1994, 370:621-628.
-
(1994)
Nature,
, vol.370
, pp. 621-628
-
-
Abrahams, J.P.1
Leslie, A.G.2
Lutter, R.3
Walker, J.E.4
-
21
-
-
0029042511
-
Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A ring; resolution
-
Löwe J., Stock D., Jap B., Zwickl P., Baumeister W., Huber R. Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 Å resolution. Science, 1995, 268:533-539.
-
(1995)
Science,
, vol.268
, pp. 533-539
-
-
Löwe, J.1
Stock, D.2
Jap, B.3
Zwickl, P.4
Baumeister, W.5
Huber, R.6
-
22
-
-
1842411320
-
Crystal structure of the nucleosome core particle at 2.8A ring;
-
Luger K., Mäder A.W., Richmond R.K., Sargent D.F., Richmond T.J. Crystal structure of the nucleosome core particle at 2.8Å. Nature, 1997, 389:251-260.
-
(1997)
Nature,
, vol.389
, pp. 251-260
-
-
Luger, K.1
Mäder, A.W.2
Richmond, R.K.3
Sargent, D.F.4
Richmond, T.J.5
-
23
-
-
0034704217
-
The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit
-
Brodersen D.E., Clemons W.M., Carter A.P., Morgan-Warren R.J., Wimberly B.T., Ramakrishnan V. The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit. Cell, 2000, 103:1143-1154.
-
(2000)
Cell,
, vol.103
, pp. 1143-1154
-
-
Brodersen, D.E.1
Clemons, W.M.2
Carter, A.P.3
Morgan-Warren, R.J.4
Wimberly, B.T.5
Ramakrishnan, V.6
-
24
-
-
0034637111
-
The complete atomic structure of the large ribosomal subunit at 2.4 A resolution
-
Ban N., Nissen P., Hansen J., Moore P.B., Steitz T.A. The complete atomic structure of the large ribosomal subunit at 2.4 A resolution. Science, 2000, 289:905-920.
-
(2000)
Science,
, vol.289
, pp. 905-920
-
-
Ban, N.1
Nissen, P.2
Hansen, J.3
Moore, P.B.4
Steitz, T.A.5
-
25
-
-
0034637161
-
The structural basis of ribosome activity in peptide bond synthesis
-
Nissen P., Hansen J., Ban N., Moore P.B., Steitz T.A. The structural basis of ribosome activity in peptide bond synthesis. Science, 2000, 289:920-930.
-
(2000)
Science,
, vol.289
, pp. 920-930
-
-
Nissen, P.1
Hansen, J.2
Ban, N.3
Moore, P.B.4
Steitz, T.A.5
-
26
-
-
17744377418
-
Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3
-
Pioletti M., Schlunzen F., Harms J., Zarivach R., Gluhmann M., Avila H., Bashan A., Bartels H., Auerbach T., Jacobi C., Hartsch T., Yonath A., Franceschi F. Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J. 2001, 20:1829-1839.
-
(2001)
EMBO J.
, vol.20
, pp. 1829-1839
-
-
Pioletti, M.1
Schlunzen, F.2
Harms, J.3
Zarivach, R.4
Gluhmann, M.5
Avila, H.6
Bashan, A.7
Bartels, H.8
Auerbach, T.9
Jacobi, C.10
Hartsch, T.11
Yonath, A.12
Franceschi, F.13
-
27
-
-
0035827332
-
Structural basis of transcription: an RNA polymerase II elongation complex at 3.3 A ring; resolution
-
Gnatt A.L., Cramer P., Fu J., Bushnell D.A., Kornberg R.D. Structural basis of transcription: an RNA polymerase II elongation complex at 3.3 Å resolution. Science, 2001, 292:1876-1882.
-
(2001)
Science,
, vol.292
, pp. 1876-1882
-
-
Gnatt, A.L.1
Cramer, P.2
Fu, J.3
Bushnell, D.A.4
Kornberg, R.D.5
-
28
-
-
0032478818
-
+ conduction and selectivity
-
+ conduction and selectivity. Science, 1998, 280:69-77.
-
(1998)
Science,
, vol.280
, pp. 69-77
-
-
Doyle, D.A.1
Morais Cabral, J.2
Pfuetzner, R.A.3
Quo, A.4
Gulbis, J.M.5
Cohen, S.L.6
Chait, B.T.7
Mackinnon, R.8
-
29
-
-
0037198626
-
Crystal structure and mechanism of a calcium-gated potassium channel
-
Jiang Y., Lee A., Chen J., Cadene M., Chait B.T., MacKinnon R. Crystal structure and mechanism of a calcium-gated potassium channel. Nature, 2002, 417:515-522.
-
(2002)
Nature,
, vol.417
, pp. 515-522
-
-
Jiang, Y.1
Lee, A.2
Chen, J.3
Cadene, M.4
Chait, B.T.5
MacKinnon, R.6
-
30
-
-
0038198865
-
High-throughput crystallography to enhance drug discovery
-
Sharff A., Jhoti H. High-throughput crystallography to enhance drug discovery. Curr. Opin. Chem. Biol. 2003, 7:340-345.
-
(2003)
Curr. Opin. Chem. Biol.
, vol.7
, pp. 340-345
-
-
Sharff, A.1
Jhoti, H.2
-
31
-
-
16644368493
-
APRV - a program for automated data processing, refinement and visualization
-
Kroemer M., Dreyer M.K., Wendt K.U. APRV - a program for automated data processing, refinement and visualization. Acta Cryst. D 2004, 60:1679-1682.
-
(2004)
Acta Cryst. D
, vol.60
, pp. 1679-1682
-
-
Kroemer, M.1
Dreyer, M.K.2
Wendt, K.U.3
-
32
-
-
33748636243
-
Automated protein-ligand crystallography for structure-based drug design
-
Mooij W.T.M., Hartshorn M.J., Tickle I.J., Sharff A.J., Verdonk M.L., Jhoti H. Automated protein-ligand crystallography for structure-based drug design. Chem. Med. Chem. 2006, 1:827-838.
-
(2006)
Chem. Med. Chem.
, vol.1
, pp. 827-838
-
-
Mooij, W.T.M.1
Hartshorn, M.J.2
Tickle, I.J.3
Sharff, A.J.4
Verdonk, M.L.5
Jhoti, H.6
-
33
-
-
33846413234
-
Assessment of automatic ligand building in ARP/Warp
-
Evrard G.X., Langer G.G., Perrakis A., Lamzin V.S. Assessment of automatic ligand building in ARP/Warp. Acta Cryst. D, 2007, 63:108-117.
-
(2007)
Acta Cryst. D,
, vol.63
, pp. 108-117
-
-
Evrard, G.X.1
Langer, G.G.2
Perrakis, A.3
Lamzin, V.S.4
-
34
-
-
0036913881
-
Veni, vidi, vici - atomic resolution unraveling the mysteries of protein function
-
Schmidt A., Lamzin V.S. Veni, vidi, vici - atomic resolution unraveling the mysteries of protein function. Curr. Opin. Struct. Biol. 2002, 12:698-703.
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 698-703
-
-
Schmidt, A.1
Lamzin, V.S.2
-
35
-
-
4644359235
-
Protein crystallography at subatomic resolution
-
Petrova T., Podjarny A. Protein crystallography at subatomic resolution. Rep. Prog. Phys. 2004, 67:1565-1605.
-
(2004)
Rep. Prog. Phys.
, vol.67
, pp. 1565-1605
-
-
Petrova, T.1
Podjarny, A.2
-
36
-
-
2542571016
-
Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A ring;
-
Howard E.I., Sanishvili R., Cachau R.E., Mitschler A., Chevrier B., Barth P., Lamour V., Van Zandt M., Sibley E., Bon C., Moras D., Schneider T.R., Joachimiak A., Podjarny A. Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 Å. Proteins Struct. Funct. Bioinf. 2004, 55:792-804.
-
(2004)
Proteins Struct. Funct. Bioinf.
, vol.55
, pp. 792-804
-
-
Howard, E.I.1
Sanishvili, R.2
Cachau, R.E.3
Mitschler, A.4
Chevrier, B.5
Barth, P.6
Lamour, V.7
Van Zandt, M.8
Sibley, E.9
Bon, C.10
Moras, D.11
Schneider, T.R.12
Joachimiak, A.13
Podjarny, A.14
-
37
-
-
2542643894
-
Ultrahigh resolution drug design II: atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
-
El-Kabbani O., Darmanin C., Schneider T.R., Hazemann I., Ruiz F., Oka M., Joachimiak A., Schulze-Briese C., Tomizaki T., Mitschler A., Podjarny A. Ultrahigh resolution drug design II: atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors. Proteins Struct. Funct. Bioinf. 2004, 55:805-813.
-
(2004)
Proteins Struct. Funct. Bioinf.
, vol.55
, pp. 805-813
-
-
El-Kabbani, O.1
Darmanin, C.2
Schneider, T.R.3
Hazemann, I.4
Ruiz, F.5
Oka, M.6
Joachimiak, A.7
Schulze-Briese, C.8
Tomizaki, T.9
Mitschler, A.10
Podjarny, A.11
-
38
-
-
0017184784
-
Compounds designed to fit a site of known structure in human haemoglobin
-
Beddell C.R., Goodford P.J., Norrington F.E., Wilkinson S., Wootton R. Compounds designed to fit a site of known structure in human haemoglobin. Br. J. Pharmacol. 1976, 57:201-209.
-
(1976)
Br. J. Pharmacol.
, vol.57
, pp. 201-209
-
-
Beddell, C.R.1
Goodford, P.J.2
Norrington, F.E.3
Wilkinson, S.4
Wootton, R.5
-
39
-
-
0017578611
-
Design of specific inhibitors of angiotensin-converting enzyme - new class of orally active antihypertensive agents
-
Ondetti M.A., Cushman D.W. Design of specific inhibitors of angiotensin-converting enzyme - new class of orally active antihypertensive agents. Science 1977, 196:441-444.
-
(1977)
Science
, vol.196
, pp. 441-444
-
-
Ondetti, M.A.1
Cushman, D.W.2
-
40
-
-
3042732126
-
Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme
-
Natesh R., Schwager S.L.U., Evans H.R., Sturrock E.D., Acharya K.R. Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme. Biochemistry, 2004, 43:8718-8724.
-
(2004)
Biochemistry,
, vol.43
, pp. 8718-8724
-
-
Natesh, R.1
Schwager, S.L.U.2
Evans, H.R.3
Sturrock, E.D.4
Acharya, K.R.5
-
41
-
-
34248221658
-
The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380
-
Corradi H.R., Chitapi I., Sewell B.T., Georgiadis D., Dive V., Sturrock E.D., Acharya K.R. The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380. Biochemistry, 2007, 46:5473-5478.
-
(2007)
Biochemistry,
, vol.46
, pp. 5473-5478
-
-
Corradi, H.R.1
Chitapi, I.2
Sewell, B.T.3
Georgiadis, D.4
Dive, V.5
Sturrock, E.D.6
Acharya, K.R.7
-
42
-
-
0024218271
-
Refined structure of human carbonic anhydrase II at 2.0 A ring; resolution
-
Eriksson A.E., Jones T.A., Liljas A. Refined structure of human carbonic anhydrase II at 2.0 Å resolution. Proteins, 1988, 4:274-282.
-
(1988)
Proteins,
, vol.4
, pp. 274-282
-
-
Eriksson, A.E.1
Jones, T.A.2
Liljas, A.3
-
43
-
-
0024387816
-
Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma
-
Baldwin J., Ponticello G.S., Anderson P.S., Christy M.E., Murcko M.A., Randall W.C., Schwam H., Sugrue M.F., Springer J.P., Gautheron P., Grove J., Mallorga P., Viader M.-P., McKeever B.M., Navia M.A. Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma. J. Med. Chem. 1989, 32:2510-2513.
-
(1989)
J. Med. Chem.
, vol.32
, pp. 2510-2513
-
-
Baldwin, J.1
Ponticello, G.S.2
Anderson, P.S.3
Christy, M.E.4
Murcko, M.A.5
Randall, W.C.6
Schwam, H.7
Sugrue, M.F.8
Springer, J.P.9
Gautheron, P.10
Grove, J.11
Mallorga, P.12
Viader, M.-P.13
McKeever, B.M.14
Navia, M.A.15
-
44
-
-
3442883664
-
Carbonic anhydrases: current state of the art, therapeutic applications and future prospects
-
Pastorekova S., Parkkila S., Pastorek J., Supuran C.T. Carbonic anhydrases: current state of the art, therapeutic applications and future prospects. J. Enzyme Inhib. Med. Chem. 2004, 19:199-229.
-
(2004)
J. Enzyme Inhib. Med. Chem.
, vol.19
, pp. 199-229
-
-
Pastorekova, S.1
Parkkila, S.2
Pastorek, J.3
Supuran, C.T.4
-
45
-
-
0030772018
-
Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine
-
Briganti F., Mangani S., Orioli P., Scozzafava A., Vernaglione G., Supuran C.T. Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry, 1997, 36:10384-10392.
-
(1997)
Biochemistry,
, vol.36
, pp. 10384-10392
-
-
Briganti, F.1
Mangani, S.2
Orioli, P.3
Scozzafava, A.4
Vernaglione, G.5
Supuran, C.T.6
-
46
-
-
0030875781
-
'Flu' and structure-based drug design
-
Wade R.C. 'Flu' and structure-based drug design. Structure, 1997, 5:1139-1145.
-
(1997)
Structure,
, vol.5
, pp. 1139-1145
-
-
Wade, R.C.1
-
47
-
-
0020629047
-
Structure of the influenza virus glycoprotein antigen neuraminidase at 2.9 A ring; resolution
-
Varghese J.N., Laver W.G., Colman P.M. Structure of the influenza virus glycoprotein antigen neuraminidase at 2.9 Å resolution. Nature, 1983, 303:35-40.
-
(1983)
Nature,
, vol.303
, pp. 35-40
-
-
Varghese, J.N.1
Laver, W.G.2
Colman, P.M.3
-
48
-
-
0020633096
-
Structure of the catalytic and antigenic sites in influenza virus neuraminidase
-
Colman P.M., Varghese J.N., Laver W.G. Structure of the catalytic and antigenic sites in influenza virus neuraminidase. Nature, 1983, 303:41-44.
-
(1983)
Nature,
, vol.303
, pp. 41-44
-
-
Colman, P.M.1
Varghese, J.N.2
Laver, W.G.3
-
49
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford P.J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 1985, 28:849-857.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
50
-
-
0027287506
-
Rational design of potent sialidase-based inhibitors of influenza virus replication
-
von Itzstein M., Wu W.-Y., Kok G.B., Pegg M.S., Dyason J.C., Jin B., Van Phan T., Smythe M.L., White H.F., Oliver S.W., Colman P.M., Varghese J.N., Ryan D.M., Woods J.M., Bethell R.C., Hotham V.J., Cameron J.M., Penn C.R. Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature, 1993, 363:418-423.
-
(1993)
Nature,
, vol.363
, pp. 418-423
-
-
von Itzstein, M.1
Wu, W.-Y.2
Kok, G.B.3
Pegg, M.S.4
Dyason, J.C.5
Jin, B.6
Van Phan, T.7
Smythe, M.L.8
White, H.F.9
Oliver, S.W.10
Colman, P.M.11
Varghese, J.N.12
Ryan, D.M.13
Woods, J.M.14
Bethell, R.C.15
Hotham, V.J.16
Cameron, J.M.17
Penn, C.R.18
-
51
-
-
0031048319
-
Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity
-
Kim C.U., Lew W., Williams M.A., Liu H., Zhang L., Swaminathan S., Bishofberger N., Chen M.S., Mendel D.B., Tai C.Y., Laver W.G., Stevens R.C. Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity. J. Am. Chem. Soc. 1997, 119:681-690.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 681-690
-
-
Kim, C.U.1
Lew, W.2
Williams, M.A.3
Liu, H.4
Zhang, L.5
Swaminathan, S.6
Bishofberger, N.7
Chen, M.S.8
Mendel, D.B.9
Tai, C.Y.10
Laver, W.G.11
Stevens, R.C.12
-
52
-
-
4644248792
-
Recent advances in the design of matrix metalloprotease inhibitors
-
Matter H., Schudok M. Recent advances in the design of matrix metalloprotease inhibitors. Curr. Opin. Drug Discov. Dev. 2004, 7:513-535.
-
(2004)
Curr. Opin. Drug Discov. Dev.
, vol.7
, pp. 513-535
-
-
Matter, H.1
Schudok, M.2
-
53
-
-
1842431419
-
High-throughput structural biology in drug discovery: protein kinases
-
Stout T.J., Foster P.G., Matthews D.J. High-throughput structural biology in drug discovery: protein kinases. Curr. Pharm. Design, 2004, 10:1069-1082.
-
(2004)
Curr. Pharm. Design,
, vol.10
, pp. 1069-1082
-
-
Stout, T.J.1
Foster, P.G.2
Matthews, D.J.3
-
54
-
-
33646161254
-
Structure- and fragment-based approaches to protease inhibition
-
Johnson S.L., Pellecchia M. Structure- and fragment-based approaches to protease inhibition. Curr. Top. Med. Chem. 2006, 6:317-329.
-
(2006)
Curr. Top. Med. Chem.
, vol.6
, pp. 317-329
-
-
Johnson, S.L.1
Pellecchia, M.2
-
55
-
-
33746349572
-
Targeting cancer: the challenges and successes of structure-based drug design against the human purinome
-
Knapp M., Bellamacina C., Murray J.M., Bussiere D.E. Targeting cancer: the challenges and successes of structure-based drug design against the human purinome. Curr. Top. Med. Chem. 2006, 6:1129-1159.
-
(2006)
Curr. Top. Med. Chem.
, vol.6
, pp. 1129-1159
-
-
Knapp, M.1
Bellamacina, C.2
Murray, J.M.3
Bussiere, D.E.4
-
56
-
-
33646052849
-
Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle
-
Thomas M.P., McInnes C. Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle. IDrugs, 2006, 9:273-278.
-
(2006)
IDrugs,
, vol.9
, pp. 273-278
-
-
Thomas, M.P.1
McInnes, C.2
-
57
-
-
33947301761
-
Structure-based drug design of new leads for phosphatase research
-
Combs A.P. Structure-based drug design of new leads for phosphatase research. IDrugs, 2006, 10:112-115.
-
(2006)
IDrugs,
, vol.10
, pp. 112-115
-
-
Combs, A.P.1
-
58
-
-
0036176766
-
Rational approach to AIDS drug design through structural biology
-
Wlodawer A. Rational approach to AIDS drug design through structural biology. Annu. Rev. Med. 2002, 53:595-614.
-
(2002)
Annu. Rev. Med.
, vol.53
, pp. 595-614
-
-
Wlodawer, A.1
-
59
-
-
0348227698
-
The impact of structure-guided drug design on clinical agents
-
Dec
-
Hardy L.W., Malikayil A. The impact of structure-guided drug design on clinical agents. Curr. Drug Discov. 2003, (Dec):15-20.
-
(2003)
Curr. Drug Discov.
, pp. 15-20
-
-
Hardy, L.W.1
Malikayil, A.2
-
60
-
-
33846160571
-
Aspartic proteases in drug discovery
-
Eder J., Hommel U., Cumin F., Martoglio B., Gerhartz B. Aspartic proteases in drug discovery. Curr. Pharm. Design, 2007, 13:271-285.
-
(2007)
Curr. Pharm. Design,
, vol.13
, pp. 271-285
-
-
Eder, J.1
Hommel, U.2
Cumin, F.3
Martoglio, B.4
Gerhartz, B.5
-
61
-
-
0020002135
-
Enzymes of the renin-angiotensin system and their inhibitors
-
Ondetti M.A., Cushman D.W. Enzymes of the renin-angiotensin system and their inhibitors. Annu. Rev. Biochem. 1982, 51:283-308.
-
(1982)
Annu. Rev. Biochem.
, vol.51
, pp. 283-308
-
-
Ondetti, M.A.1
Cushman, D.W.2
-
62
-
-
0023191215
-
On the rational design of renin inhibitors: X-ray studies of aspartic proteinases complexed with transition-state analogues
-
Blundell T.L., Cooper J., Foundling S.I., Jones D.M., Atrash B., Szelke M. On the rational design of renin inhibitors: X-ray studies of aspartic proteinases complexed with transition-state analogues. Biochemistry, 1987, 26:5585-5590.
-
(1987)
Biochemistry,
, vol.26
, pp. 5585-5590
-
-
Blundell, T.L.1
Cooper, J.2
Foundling, S.I.3
Jones, D.M.4
Atrash, B.5
Szelke, M.6
-
63
-
-
0025360877
-
Renin inhibitors
-
Greenlee W.J. Renin inhibitors. Med. Res. Rev. 1990, 10:173-236.
-
(1990)
Med. Res. Rev.
, vol.10
, pp. 173-236
-
-
Greenlee, W.J.1
-
64
-
-
0027144106
-
Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors
-
Lunney E.A., Hamilton H.W., Hodges J.C., Kaltenbronn J.S., Repine J.T., Badasso M., Cooper J.B., Dealwis C., Wallace B.A., Lowther W.T., Dunn B.M., Humblet C. Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J. Med. Chem. 1993, 36:3809-3820.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 3809-3820
-
-
Lunney, E.A.1
Hamilton, H.W.2
Hodges, J.C.3
Kaltenbronn, J.S.4
Repine, J.T.5
Badasso, M.6
Cooper, J.B.7
Dealwis, C.8
Wallace, B.A.9
Lowther, W.T.10
Dunn, B.M.11
Humblet, C.12
-
65
-
-
0024538619
-
Structure of recombinant human renin, a target for cardio-vascular-active drugs, at 2.5 A ring; resolution
-
Sielecki A.R., Hayakawa K., Fujinaga M., Murphy M.E.P., Frazer M., Muir A.K., Carilli C.T., Lewicki J.A., Baxter J.D., James M.N.G. Structure of recombinant human renin, a target for cardio-vascular-active drugs, at 2.5 Å resolution. Science 1989, 243:1341-1351.
-
(1989)
Science
, vol.243
, pp. 1341-1351
-
-
Sielecki, A.R.1
Hayakawa, K.2
Fujinaga, M.3
Murphy, M.E.P.4
Frazer, M.5
Muir, A.K.6
Carilli, C.T.7
Lewicki, J.A.8
Baxter, J.D.9
James, M.N.G.10
-
66
-
-
0026323860
-
The crystal structures of recombinant glycosylated human renin alone and in complex with a transition-state analog inhibitor
-
Rahuel J., Priestle J.P., Grütter M.G. The crystal structures of recombinant glycosylated human renin alone and in complex with a transition-state analog inhibitor. J. Struct. Biol. 1996, 107:227-236.
-
(1996)
J. Struct. Biol.
, vol.107
, pp. 227-236
-
-
Rahuel, J.1
Priestle, J.P.2
Grütter, M.G.3
-
67
-
-
0001334658
-
Design principles for orally bioavailable drugs.
-
Navia M.A., Chaturvedi P.R. Design principles for orally bioavailable drugs. Drug Discov. Today, 1996, 1:179-189.
-
(1996)
Drug Discov. Today,
, vol.1
, pp. 179-189
-
-
Navia, M.A.1
Chaturvedi, P.R.2
-
68
-
-
0033941893
-
Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human rennin
-
Rahuel J., Rasetti V., Maibaum J., Rüeger H., Göschke R., Cohen N.-C., Stutz S., Cumin F., Fuhrer W., Wood J.M., Grütter M.G. Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human rennin. Chem. Biol. 2000, 7:493-504.
-
(2000)
Chem. Biol.
, vol.7
, pp. 493-504
-
-
Rahuel, J.1
Rasetti, V.2
Maibaum, J.3
Rüeger, H.4
Göschke, R.5
Cohen, N.-C.6
Stutz, S.7
Cumin, F.8
Fuhrer, W.9
Wood, J.M.10
Grütter, M.G.11
-
69
-
-
0042661157
-
Structure-based design of aliskiren, a novel orally effective renin inhibitor
-
Wood J.M., Maibaum J., Rahuel J., Grütter M.G., Cohen N.-C., Rasetti V., Rüeger H., Göschke R., Stutz S., Fuhrer W., Schilling W., Rigollier P., Yamaguchi Y., Cumin F., Baum H.-P., Schnell C.R., Herold P., Mah R., Jensen C., O'Brien E., Stanton A., Bedigian M.P. Structure-based design of aliskiren, a novel orally effective renin inhibitor. Biochem. Biophys. Res. Comm. 2003, 308:698-705.
-
(2003)
Biochem. Biophys. Res. Comm.
, vol.308
, pp. 698-705
-
-
Wood, J.M.1
Maibaum, J.2
Rahuel, J.3
Grütter, M.G.4
Cohen, N.-C.5
Rasetti, V.6
Rüeger, H.7
Göschke, R.8
Stutz, S.9
Fuhrer, W.10
Schilling, W.11
Rigollier, P.12
Yamaguchi, Y.13
Cumin, F.14
Baum, H.-P.15
Schnell, C.R.16
Herold, P.17
Mah, R.18
Jensen, C.19
O'Brien, E.20
Stanton, A.21
Bedigian, M.P.22
more..
-
70
-
-
34848888592
-
Novel 2,7-dialky1 substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamide transition state peptidomimetics are potent and orally active inhibitors of human renin
-
4818-4831.
-
Göschke R., Stutz S., Rasetti V., Cohen N.-C., Rahuel J., Rigollier P., Baum H.-P., Forgiarini P., Schnell C.R., Wagner T., Gruetter M.G., Fuhrer W., Schilling W., Cumin F., Wood J.M., Maibaum J. Novel 2,7-dialky1 substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamide transition state peptidomimetics are potent and orally active inhibitors of human renin. J. Med. Chem. 2007, 50. 4818-4831.
-
(2007)
J. Med. Chem.
, vol.50
-
-
Göschke, R.1
Stutz, S.2
Rasetti, V.3
Cohen, N.-C.4
Rahuel, J.5
Rigollier, P.6
Baum, H.-P.7
Forgiarini, P.8
Schnell, C.R.9
Wagner, T.10
Gruetter, M.G.11
Fuhrer, W.12
Schilling, W.13
Cumin, F.14
Wood, J.M.15
Maibaum, J.16
-
71
-
-
34848869297
-
Structural modification of the P2' position of 2,7-dialkyl substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: the discovery of aliskiren, a potent non-peptide human renin inhibitor active after once daily dosing in marmosets
-
4832-4844.
-
Maibaum J., Stutz S., Göschke R., Rigollier P., Yamaguchi Y., Cumin F., Rahuel J., Baum H.-P., Cohen N.-C., Schnell C.R., Fuhrer W., Gruetter M.G., Schilling W., Wood J.M. Structural modification of the P2' position of 2,7-dialkyl substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: the discovery of aliskiren, a potent non-peptide human renin inhibitor active after once daily dosing in marmosets. J. Med. Chem. 2007, 50. 4832-4844.
-
(2007)
J. Med. Chem.
, vol.50
-
-
Maibaum, J.1
Stutz, S.2
Göschke, R.3
Rigollier, P.4
Yamaguchi, Y.5
Cumin, F.6
Rahuel, J.7
Baum, H.-P.8
Cohen, N.-C.9
Schnell, C.R.10
Fuhrer, W.11
Gruetter, M.G.12
Schilling, W.13
Wood, J.M.14
-
72
-
-
0037032835
-
The protein kinase complement of the human genome
-
Manning G., White D.B., Martinez R., Hunter T., Sudarsanam S. The protein kinase complement of the human genome. Science, 2002, 298:1912-1934.
-
(2002)
Science,
, vol.298
, pp. 1912-1934
-
-
Manning, G.1
White, D.B.2
Martinez, R.3
Hunter, T.4
Sudarsanam, S.5
-
73
-
-
0031026055
-
Potent and selective inhibitors of the Abl-kinase: phenylaminopyrimidine (PAP) derivatives
-
Zimmermann J., Buchdunger E., Mett H., Meyer T., Lydon N.B. Potent and selective inhibitors of the Abl-kinase: phenylaminopyrimidine (PAP) derivatives. Bioorg. Med. Chem. Lett. 1997, 7:187-192.
-
(1997)
Bioorg. Med. Chem. Lett.
, vol.7
, pp. 187-192
-
-
Zimmermann, J.1
Buchdunger, E.2
Mett, H.3
Meyer, T.4
Lydon, N.B.5
-
74
-
-
0036635291
-
Glivec (STI571, imatinib), a rationally developed, targeted anticancer drug.
-
Capdeville R., Buchdunger E., Zimmermann J., Matter A. Glivec (STI571, imatinib), a rationally developed, targeted anticancer drug. Nat. Rev. Drug Discov. 2002, 1:493-502.
-
(2002)
Nat. Rev. Drug Discov.
, vol.1
, pp. 493-502
-
-
Capdeville, R.1
Buchdunger, E.2
Zimmermann, J.3
Matter, A.4
-
75
-
-
0036591874
-
Structural biology in drug design: selective protein kinase inhibitors
-
Scapin G. Structural biology in drug design: selective protein kinase inhibitors. Drug Discov. Today, 2002, 7:601-611.
-
(2002)
Drug Discov. Today,
, vol.7
, pp. 601-611
-
-
Scapin, G.1
-
76
-
-
1642323740
-
Protein kinase inhibitors: insights into drug design from structure
-
Noble M.E.M., Endicott J.A., Johnson L.N. Protein kinase inhibitors: insights into drug design from structure. Science, 2004, 303:1800-1805.
-
(2004)
Science,
, vol.303
, pp. 1800-1805
-
-
Noble, M.E.M.1
Endicott, J.A.2
Johnson, L.N.3
-
77
-
-
33751272653
-
Structural biology of protein tyrosine kinases
-
Cowan-Jacob S.W. Structural biology of protein tyrosine kinases. Cell. Mol. Life Sci. 2006, 63:2608-2625.
-
(2006)
Cell. Mol. Life Sci.
, vol.63
, pp. 2608-2625
-
-
Cowan-Jacob, S.W.1
-
78
-
-
0034665713
-
Structural mechanism for STI-571 inhibition of abelson tyrosine kinase
-
Schindler T., Bommann W., Pellicena P., Miller W.T., Clarkson B., Kuriyan J. Structural mechanism for STI-571 inhibition of abelson tyrosine kinase. Science, 2000, 289:1938-1942.
-
(2000)
Science,
, vol.289
, pp. 1938-1942
-
-
Schindler, T.1
Bommann, W.2
Pellicena, P.3
Miller, W.T.4
Clarkson, B.5
Kuriyan, J.6
-
79
-
-
0036682301
-
Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571)
-
Nagar B., Bommann W.G., Pellicena P., Schindler T., Veach D.R., Miller W.T., Clarkson B., Kuriyan J. Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). Cancer Res. 2002, 62:4236-4243.
-
(2002)
Cancer Res.
, vol.62
, pp. 4236-4243
-
-
Nagar, B.1
Bommann, W.G.2
Pellicena, P.3
Schindler, T.4
Veach, D.R.5
Miller, W.T.6
Clarkson, B.7
Kuriyan, J.8
-
80
-
-
0036769168
-
-
Manley P.W., Cowan-Jacob S.W., Buchdunger E., Fabbro D., Fendrich G., Furet P., Meyer T., Zimmermann J. Eur. J. Cancer, 2002, 38(Suppl. 5):S19-S27.
-
(2002)
Eur. J. Cancer,
, vol.38
, Issue.SUPPL. 5
-
-
Manley, P.W.1
Cowan-Jacob, S.W.2
Buchdunger, E.3
Fabbro, D.4
Fendrich, G.5
Furet, P.6
Meyer, T.7
Zimmermann, J.8
-
81
-
-
33846457931
-
Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia
-
Cowan-Jacob S.W., Fendrich G., Floersheimer A., Furet P., Liebetanz J., Rummel G., Rheinberger P., Centeleghe M., Fabbro D., Manley P.W. Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. Acta Cryst. D, 2007, 63:80-93.
-
(2007)
Acta Cryst. D,
, vol.63
, pp. 80-93
-
-
Cowan-Jacob, S.W.1
Fendrich, G.2
Floersheimer, A.3
Furet, P.4
Liebetanz, J.5
Rummel, G.6
Rheinberger, P.7
Centeleghe, M.8
Fabbro, D.9
Manley, P.W.10
-
82
-
-
2342629325
-
-
Cowan-Jacob S.W., Guez V., Fendrich G., Griffin J.D., Fabbro D., Furet P., Liebetanz J., Mestan J., Manley P.W. Imatinib (STI571) resistance in chronic myelogenous leukemia: molecular basis of the underlying mechanisms and potential strategies for treatment. Mini Rev. Med. Chem. 2004, 4:285-299.
-
(2004)
Imatinib (STI571) resistance in chronic myelogenous leukemia: molecular basis of the underlying mechanisms and potential strategies for treatment. Mini Rev. Med. Chem.
, vol.4
, pp. 285-299
-
-
Cowan-Jacob, S.W.1
Guez, V.2
Fendrich, G.3
Griffin, J.D.4
Fabbro, D.5
Furet, P.6
Liebetanz, J.7
Mestan, J.8
Manley, P.W.9
-
83
-
-
7044231291
-
Urea-derivatives of STI571 as inhibitors of Bcr-Abl and PDGFR kinases
-
Manley P.W., Breitenstein W., Bruggen J., Cowan-Jacob S.W., Furet P., Mestan J., Meyer T. Urea-derivatives of STI571 as inhibitors of Bcr-Abl and PDGFR kinases. Bioorg. Med. Chem. Lett. 2004, 14:5793-5797.
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, pp. 5793-5797
-
-
Manley, P.W.1
Breitenstein, W.2
Bruggen, J.3
Cowan-Jacob, S.W.4
Furet, P.5
Mestan, J.6
Meyer, T.7
-
84
-
-
33745058125
-
Molecular interactions between the highly selective pan-Bcr-Abl inhibitor, AMN107, and the tyrosine kinase domain of Abl
-
Manley P.W., Cowan-Jacob S.W., Fendrich G., Metan J. Molecular interactions between the highly selective pan-Bcr-Abl inhibitor, AMN107, and the tyrosine kinase domain of Abl. Blood, 2005, 106:940a.
-
(2005)
Blood,
, vol.106
-
-
Manley, P.W.1
Cowan-Jacob, S.W.2
Fendrich, G.3
Metan, J.4
-
85
-
-
13844251975
-
Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
-
Weisberg E., Manley P.W., Breitenstein W., Bruggen J., Cowan-Jacob S.W., Ray A., Huntly B., Fabbro D., Fendrich G., Hall-Meyers E., Kung A.L., Mestan J., Daley G.Q., Callahan L., Catley L., Cavazza C., Azam M., Neuberg D., Wright R.D., Gilliland D.G., Griffin J.D. Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl. Cancer Cell, 2005, 7:129-141.
-
(2005)
Cancer Cell,
, vol.7
, pp. 129-141
-
-
Weisberg, E.1
Manley, P.W.2
Breitenstein, W.3
Bruggen, J.4
Cowan-Jacob, S.W.5
Ray, A.6
Huntly, B.7
Fabbro, D.8
Fendrich, G.9
Hall-Meyers, E.10
Kung, A.L.11
Mestan, J.12
Daley, G.Q.13
Callahan, L.14
Catley, L.15
Cavazza, C.16
Azam, M.17
Neuberg, D.18
Wright, R.D.19
Gilliland, D.G.20
Griffin, J.D.21
more..
-
86
-
-
33745114173
-
AMN107 (nilotinib): a novel and selective inhibitor of BCR-ABL
-
Weisberg E., Manley P., Mestan J., Cowan-Jacob S., Ray A., Griffin J.D. AMN107 (nilotinib): a novel and selective inhibitor of BCR-ABL. Br. J. Cancer, 2006, 94:1765-1769.
-
(2006)
Br. J. Cancer,
, vol.94
, pp. 1765-1769
-
-
Weisberg, E.1
Manley, P.2
Mestan, J.3
Cowan-Jacob, S.4
Ray, A.5
Griffin, J.D.6
-
87
-
-
0014432781
-
Solvent content of protein crystals
-
Matthews B. Solvent content of protein crystals. J. Mol. Biol. 1968, 33:491-497.
-
(1968)
J. Mol. Biol.
, vol.33
, pp. 491-497
-
-
Matthews, B.1
-
90
-
-
1642404661
-
Which strategy for a protein crystallization project?
-
Kundrot C.E. Which strategy for a protein crystallization project?. Cell. Mol. Life Sci. 2004, 61:525-536.
-
(2004)
Cell. Mol. Life Sci.
, vol.61
, pp. 525-536
-
-
Kundrot, C.E.1
-
91
-
-
11844260128
-
Life in the fast lane for protein crystallization and X-ray crystallography
-
Pusey M.L., Liu Z.-J., Tempel W., Praissman J., Lin D., Wang B.-C., Gavira J.A., Ng J.D. Life in the fast lane for protein crystallization and X-ray crystallography. Prog. Biophys. Mol. Biol. 2005, 88:359-386.
-
(2005)
Prog. Biophys. Mol. Biol.
, vol.88
, pp. 359-386
-
-
Pusey, M.L.1
Liu, Z.-J.2
Tempel, W.3
Praissman, J.4
Lin, D.5
Wang, B.-C.6
Gavira, J.A.7
Ng, J.D.8
-
92
-
-
4344698577
-
The use of recombinant methods and molecular engineering in protein crystallization
-
Derewenda Z.S. The use of recombinant methods and molecular engineering in protein crystallization. Methods, 2004, 34:354-363.
-
(2004)
Methods,
, vol.34
, pp. 354-363
-
-
Derewenda, Z.S.1
-
93
-
-
33847653747
-
Glycoprotein structural genomics: solving the glycosylation problem
-
Chang V.T., Crispin M., Aricescu A.R., Harvey D.J., Nettleship J.E., Fennelly J.A., Yu C., Boles K.S., Evans E.J., Stuart D.I., Dwek R.A., Jones E.Y., Owens R.J., Davis S.J. Glycoprotein structural genomics: solving the glycosylation problem. Structure, 2007, 15:267-273.
-
(2007)
Structure,
, vol.15
, pp. 267-273
-
-
Chang, V.T.1
Crispin, M.2
Aricescu, A.R.3
Harvey, D.J.4
Nettleship, J.E.5
Fennelly, J.A.6
Yu, C.7
Boles, K.S.8
Evans, E.J.9
Stuart, D.I.10
Dwek, R.A.11
Jones, E.Y.12
Owens, R.J.13
Davis, S.J.14
-
94
-
-
0032749078
-
Intrinsically unstructured proteins: re-assessing the protein structure-function paradigm
-
Wright P.E., Dyson H.J. Intrinsically unstructured proteins: re-assessing the protein structure-function paradigm. J. Mol. Biol. 1999, 293:321-331.
-
(1999)
J. Mol. Biol.
, vol.293
, pp. 321-331
-
-
Wright, P.E.1
Dyson, H.J.2
-
95
-
-
4344579363
-
A pedestrian guide to membrane protein crystallization
-
Wiener M.C. A pedestrian guide to membrane protein crystallization. Methods, 2004, 34:364-372.
-
(2004)
Methods,
, vol.34
, pp. 364-372
-
-
Wiener, M.C.1
-
96
-
-
34248577308
-
The neurobiologist's guide to structural biology: a primer on why macromolecular structure matters and how to evaluate structural data
-
Minor D.L. The neurobiologist's guide to structural biology: a primer on why macromolecular structure matters and how to evaluate structural data. Neuron, 2007, 54:511-533.
-
(2007)
Neuron,
, vol.54
, pp. 511-533
-
-
Minor, D.L.1
-
97
-
-
33751000441
-
Searching for silver bullets: an alternative strategy for crystallizing macromolecules
-
McPherson A., Cudney B. Searching for silver bullets: an alternative strategy for crystallizing macromolecules. J. Struct. Biol. 2006, 156:387-406.
-
(2006)
J. Struct. Biol.
, vol.156
, pp. 387-406
-
-
McPherson, A.1
Cudney, B.2
-
98
-
-
35448950408
-
Improved expression of kinases in Baculovirus-infected insect cells upon addition of specific kinase inhibitors to the culture helpful for structural studies
-
56, 167-176.
-
Strauss A., Fendrich G., Horisberger M.A., Liebetanz J., Meyhack B., Schlaeppi J.-M., Schmitz R. Improved expression of kinases in Baculovirus-infected insect cells upon addition of specific kinase inhibitors to the culture helpful for structural studies. Protein Expr. Purif. 2007, 56, 167-176.
-
(2007)
Protein Expr. Purif.
-
-
Strauss, A.1
Fendrich, G.2
Horisberger, M.A.3
Liebetanz, J.4
Meyhack, B.5
Schlaeppi, J.-M.6
Schmitz, R.7
-
99
-
-
33846460839
-
Crystallization of protein-ligand complexes
-
Hassell A.M., An G., Bledsoe R.K., Bynum J.M., CarterIII H.L., Deng S.-J.J., Gampe R.T., Grisard T.E., Madauss K.P., Nolte R.T., Rocque W.J., Wang L., Weaver K.L., Williams S.P., Wisely G.B., Xu R., Shewchuk L.M. Crystallization of protein-ligand complexes. Acta Cryst. D 2007, 63:72-79.
-
(2007)
Acta Cryst. D
, vol.63
, pp. 72-79
-
-
Hassell, A.M.1
An, G.2
Bledsoe, R.K.3
Bynum, J.M.4
Carter III, H.L.5
Deng, S.-J.J.6
Gampe, R.T.7
Grisard, T.E.8
Madauss, K.P.9
Nolte, R.T.10
Rocque, W.J.11
Wang, L.12
Weaver, K.L.13
Williams, S.P.14
Wisely, G.B.15
Xu, R.16
Shewchuk, L.M.17
-
100
-
-
0001083794
-
A gentle vapor-diffusion technique for cross-linking of protein crystals for cryocrystallography
-
Lusty C. A gentle vapor-diffusion technique for cross-linking of protein crystals for cryocrystallography. J. Appl. Cryst. 1999, 32:106-112.
-
(1999)
J. Appl. Cryst.
, vol.32
, pp. 106-112
-
-
Lusty, C.1
-
101
-
-
33644877757
-
Cryocooling and radiation damage in macromolecular crystallography
-
Garman E.F., Owen R.L. Cryocooling and radiation damage in macromolecular crystallography. Acta Cryst. D, 2006, 62:32-47.
-
(2006)
Acta Cryst. D,
, vol.62
, pp. 32-47
-
-
Garman, E.F.1
Owen, R.L.2
-
102
-
-
0036006266
-
Jolly SAD
-
Dauter Z., Dauter M., Dodson E. Jolly SAD. Acta Cryst. D, 2002, 58:494-506.
-
(2002)
Acta Cryst. D,
, vol.58
, pp. 494-506
-
-
Dauter, Z.1
Dauter, M.2
Dodson, E.3
-
103
-
-
0033772589
-
Advances in multiple wavelength anomalous diffraction crystallography
-
Ealick S.E. Advances in multiple wavelength anomalous diffraction crystallography. Curr. Opin. Chem. Biol. 2000, 4:495-499.
-
(2000)
Curr. Opin. Chem. Biol.
, vol.4
, pp. 495-499
-
-
Ealick, S.E.1
-
104
-
-
0035094743
-
Entering a new phase: using solvent halide ions in protein structure determination
-
Dauter Z., Dauter M. Entering a new phase: using solvent halide ions in protein structure determination. Structure, 2001, 9:21-26.
-
(2001)
Structure,
, vol.9
, pp. 21-26
-
-
Dauter, Z.1
Dauter, M.2
-
105
-
-
0345373838
-
In-house measurement of the sulfur anomalous signal and its use for phasing
-
Debreczeni J.É., Bunkóczi G., Ma Q., Blaser H., Sheldrick G.M. In-house measurement of the sulfur anomalous signal and its use for phasing. Acta Cryst. D, 2003, 59:688-696.
-
(2003)
Acta Cryst. D,
, vol.59
, pp. 688-696
-
-
Debreczeni, J.1
Bunkóczi, G.2
Ma, Q.3
Blaser, H.4
Sheldrick, G.M.5
-
106
-
-
0033954256
-
The protein data bank
-
Berman H.M., Westbrook J., Feng Z., Gilliland G., Bhat T.N., Weissig H., Shindyalov I.N., Bourne P.E. 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
-
107
-
-
0026597444
-
Value: a novel statistical quantity for assessing the accuracy of crystal structures
-
Brünger A.T., Free R. Value: a novel statistical quantity for assessing the accuracy of crystal structures. Nature, 1992, 355:472-475.
-
(1992)
Nature,
, vol.355
, pp. 472-475
-
-
Brünger, A.T.1
Free, R.2
-
108
-
-
0027458493
-
Active-centre torsion-angle strain revealed in 1.6 A ring;-resolution structure of histidine-containing phosphocarrier protein
-
Jia Z., Vandonselaar M., Quail J.W., Delbaere L.T.J. Active-centre torsion-angle strain revealed in 1.6 Å-resolution structure of histidine-containing phosphocarrier protein. Nature, 1993, 361:94-97.
-
(1993)
Nature,
, vol.361
, pp. 94-97
-
-
Jia, Z.1
Vandonselaar, M.2
Quail, J.W.3
Delbaere, L.T.J.4
-
109
-
-
0028773280
-
Crystal structure of Aeromonas proteolytica aminopeptidase: a prototypical member of the co-catalytic zinc enzyme family
-
Chevrier B., Schalk C., D'Orchymont H., Rondeau J.-M., Moras D., Tarnus C. Crystal structure of Aeromonas proteolytica aminopeptidase: a prototypical member of the co-catalytic zinc enzyme family. Structure, 1994, 2:283-291.
-
(1994)
Structure,
, vol.2
, pp. 283-291
-
-
Chevrier, B.1
Schalk, C.2
D'Orchymont, H.3
Rondeau, J.-M.4
Moras, D.5
Tarnus, C.6
-
110
-
-
0000243829
-
PROCHECK: a program to check the stereochemical quality of protein structures
-
Laskowski R.A., MacArthur M.W., Moss D.S., Thornton J.M. PROCHECK: a program to check the stereochemical quality of protein structures. J. Appl. Cryst. 1993, 26:283-291.
-
(1993)
J. Appl. Cryst.
, vol.26
, pp. 283-291
-
-
Laskowski, R.A.1
MacArthur, M.W.2
Moss, D.S.3
Thornton, J.M.4
-
111
-
-
0038336897
-
Application and limitations of X-ray crystallographic data in structure-based ligand and drug design
-
Davis A.M., Teague S.J., Kleywegt G.J. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. Angew. Chem. Int. Ed. 2003, 42:2718-2736.
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, pp. 2718-2736
-
-
Davis, A.M.1
Teague, S.J.2
Kleywegt, G.J.3
-
112
-
-
2342525085
-
Heterogeneity and inaccuracy in protein structures solved by X-ray crystallography
-
DePristo M.A., de Bakker P.I.W., Blundell T.L. Heterogeneity and inaccuracy in protein structures solved by X-ray crystallography. Structure, 2004, 12:831-838.
-
(2004)
Structure,
, vol.12
, pp. 831-838
-
-
DePristo, M.A.1
de Bakker, P.I.W.2
Blundell, T.L.3
-
113
-
-
0037666888
-
Implications of protein flexibility for drug discovery
-
Teague S. Implications of protein flexibility for drug discovery. Nat. Rev. Drug Discov. 2003, 2:527-541.
-
(2003)
Nat. Rev. Drug Discov.
, vol.2
, pp. 527-541
-
-
Teague, S.1
-
114
-
-
33846448786
-
Crystallographic refinement of ligand complexes
-
Kleywegt G.J. Crystallographic refinement of ligand complexes. Acta Cryst. D 2007, 63:94-100.
-
(2007)
Acta Cryst. D
, vol.63
, pp. 94-100
-
-
Kleywegt, G.J.1
-
115
-
-
1642382166
-
Protein NMR in biomedical research
-
Jahnke W., Widmer H. Protein NMR in biomedical research. Cell. Mol. Life Sci. 2004, 61:580-599.
-
(2004)
Cell. Mol. Life Sci.
, vol.61
, pp. 580-599
-
-
Jahnke, W.1
Widmer, H.2
-
116
-
-
33846419564
-
The use of biophysical methods increases success in obtaining liganded crystal structures
-
Chung. C.-W. The use of biophysical methods increases success in obtaining liganded crystal structures. Acta Cryst. 2007, D63, 62-71.
-
(2007)
Acta Cryst.
, vol.D63
, pp. 62-71
-
-
Chung, C.-W.1
-
117
-
-
14644420979
-
The Uppsala electron-density server
-
Kleywegt G.J., Harris M.R., Zou J.Y., Taylor T.C., Wählby A., Jones T.A. The Uppsala electron-density server. Acta Cryst. D 2004, 60:2240-2249.
-
(2004)
Acta Cryst. D
, vol.60
, pp. 2240-2249
-
-
Kleywegt, G.J.1
Harris, M.R.2
Zou, J.Y.3
Taylor, T.C.4
Wählby, A.5
Jones, T.A.6
-
120
-
-
22544486576
-
Protein function prediction using local 3D templates
-
Laskowski R.A., Watson J.D., Thornton J.M. Protein function prediction using local 3D templates. J. Mol. Biol. 2005, 351:614-626.
-
(2005)
J. Mol. Biol.
, vol.351
, pp. 614-626
-
-
Laskowski, R.A.1
Watson, J.D.2
Thornton, J.M.3
-
121
-
-
28844492648
-
Protein surface analysis for function annotation in high-throughput structural genomics pipeline
-
Binkowski T.A., Joachimiak A., Liang J. Protein surface analysis for function annotation in high-throughput structural genomics pipeline. Protein Sci. 2005, 14:2972-2981.
-
(2005)
Protein Sci.
, vol.14
, pp. 2972-2981
-
-
Binkowski, T.A.1
Joachimiak, A.2
Liang, J.3
-
122
-
-
19544389524
-
Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons
-
Morris R.J., Najmanovich R.J., Kahraman A., Thornton J.M. Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons. Bioinformatics, 2005, 21:2347-2355.
-
(2005)
Bioinformatics,
, vol.21
, pp. 2347-2355
-
-
Morris, R.J.1
Najmanovich, R.J.2
Kahraman, A.3
Thornton, J.M.4
-
123
-
-
33947278347
-
Towards fully automated structure-based function prediction in structural genomics: a case study
-
Watson J.D., Sanderson S., Ezersky A., Savchenko A., Edwards A., Orengo C., Joachimiak A., Laskowski R., Thornton J.M. Towards fully automated structure-based function prediction in structural genomics: a case study. J. Mol. Biol. 2007, 367:1511-1522.
-
(2007)
J. Mol. Biol.
, vol.367
, pp. 1511-1522
-
-
Watson, J.D.1
Sanderson, S.2
Ezersky, A.3
Savchenko, A.4
Edwards, A.5
Orengo, C.6
Joachimiak, A.7
Laskowski, R.8
Thornton, J.M.9
-
124
-
-
33846438657
-
Computational analyses of the surface properties of protein-protein interfaces
-
Gruber J., Zawaira A., Saunders R., Barrett C.P., Noble M.E.M. Computational analyses of the surface properties of protein-protein interfaces. Acta Cryst. D, 2007, 63:50-57.
-
(2007)
Acta Cryst. D,
, vol.63
, pp. 50-57
-
-
Gruber, J.1
Zawaira, A.2
Saunders, R.3
Barrett, C.P.4
Noble, M.E.M.5
-
125
-
-
33747829590
-
TarFisDock: a web server for identifying drug targets with docking approach
-
Li H.L., Gao Z.T., Kang L., Zhang H.L., Yang K., Yu K.Q., Luo X.M., Zhu W.L., Chen K.X., Shen J.H., Wang X.C., Jiang H.L. TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res 2006, 34:W219-W224.
-
(2006)
Nucleic Acids Res
, vol.34
-
-
Li, H.L.1
Gao, Z.T.2
Kang, L.3
Zhang, H.L.4
Yang, K.5
Yu, K.Q.6
Luo, X.M.7
Zhu, W.L.8
Chen, K.X.9
Shen, J.H.10
Wang, X.C.11
Jiang, H.L.12
-
126
-
-
33748189789
-
Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X-ray crystallography validation
-
Cai J.H., Han C., Hu T.C., Zhang J., Wu D.L., Wang F.D., Liu Y.Q., Ding J.P., Chen K.X., Yue J.M., Shen X., Jiang H.L. Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X-ray crystallography validation. Protein Sci. 2006, 15:2071-2081.
-
(2006)
Protein Sci.
, vol.15
, pp. 2071-2081
-
-
Cai, J.H.1
Han, C.2
Hu, T.C.3
Zhang, J.4
Wu, D.L.5
Wang, F.D.6
Liu, Y.Q.7
Ding, J.P.8
Chen, K.X.9
Yue, J.M.10
Shen, X.11
Jiang, H.L.12
-
127
-
-
20444369842
-
Rapid computational identification of the targets of protein kinase inhibitors
-
Rockey W.M., Elcock A.H. Rapid computational identification of the targets of protein kinase inhibitors. J. Med. Chem. 2005, 48:4138-4152.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 4138-4152
-
-
Rockey, W.M.1
Elcock, A.H.2
-
128
-
-
34547939672
-
Structure-based activity prediction for an enzyme of unknown function
-
775-779.
-
Hermann J.C., Marti-Arbona R., Fedorov A.A., Fedorov E., Almo S.C., Shoichet B.K., Raushel F.M. Structure-based activity prediction for an enzyme of unknown function. Nature, 2007, 448. 775-779.
-
(2007)
Nature,
, vol.448
-
-
Hermann, J.C.1
Marti-Arbona, R.2
Fedorov, A.A.3
Fedorov, E.4
Almo, S.C.5
Shoichet, B.K.6
Raushel, F.M.7
-
129
-
-
33846676987
-
Chemical genetics: where genetics and pharmacology meet
-
Knight Z.A., Shokat K.M. Chemical genetics: where genetics and pharmacology meet. Cell, 2007, 128:425-430.
-
(2007)
Cell,
, vol.128
, pp. 425-430
-
-
Knight, Z.A.1
Shokat, K.M.2
-
130
-
-
33947317223
-
Structure-guided development of affinity probes for tyrosine kinases using chemical genetics
-
Blair J.A., Rauh D., Kung C., Yun C.-H., Fan Q.-W., Rode H., Zhang C., Eck M.J., Weiss W.A., Shokat K.M. Structure-guided development of affinity probes for tyrosine kinases using chemical genetics. Nat. Chem. Biol. 2007, 3:229-238.
-
(2007)
Nat. Chem. Biol.
, vol.3
, pp. 229-238
-
-
Blair, J.A.1
Rauh, D.2
Kung, C.3
Yun, C.-H.4
Fan, Q.-W.5
Rode, H.6
Zhang, C.7
Eck, M.J.8
Weiss, W.A.9
Shokat, K.M.10
-
131
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliver. Rev. 1997, 23:3-25.
-
(1997)
Adv. Drug Deliver. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
132
-
-
33847401924
-
High-throughput electronic biology: mining information for drug discovery
-
Loging W., Harland L., Williams-Jones B. High-throughput electronic biology: mining information for drug discovery. Nat. Rev. Drug Discov. 2007, 6:220-230.
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 220-230
-
-
Loging, W.1
Harland, L.2
Williams-Jones, B.3
-
133
-
-
33646351764
-
Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
-
Blundell T.L., Sibanda B.L., Montalvao R.W., Brewerton S., Chelliah V., Worth C.L., Harmer N.J., Davies O., Burke D. Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery. Phil. Trans. R. Soc. B. 2006, 361:413-423.
-
(2006)
Phil. Trans. R. Soc. B.
, vol.361
, pp. 413-423
-
-
Blundell, T.L.1
Sibanda, B.L.2
Montalvao, R.W.3
Brewerton, S.4
Chelliah, V.5
Worth, C.L.6
Harmer, N.J.7
Davies, O.8
Burke, D.9
-
134
-
-
9944263528
-
Searching for new allosteric sites in enzymes
-
Hardy J.A., Wells J.A. Searching for new allosteric sites in enzymes. Curr. Opin. Struct. Biol. 2004, 14:706-715.
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 706-715
-
-
Hardy, J.A.1
Wells, J.A.2
-
135
-
-
33750610998
-
Drug targeting protein-protein interactions
-
Chène P. Drug targeting protein-protein interactions. ChemMedChem 2006, 1:400-411.
-
(2006)
ChemMedChem
, vol.1
, pp. 400-411
-
-
Chène, P.1
-
136
-
-
0026554077
-
Crystal-structure-based design and synthesis of benz[cd]indole-containing inhibitors of thymidylate synthase
-
Varney M.D., Marzoni G.P., Palmer C.L., Deal J.G., Webber S., Welsh K.M., Bacquet R.J., Bartlett C.A., Morse C.A., Booth C.L.J., Herrmann S.M., Howland E.F., Ward R.W., White J. Crystal-structure-based design and synthesis of benz[cd]indole-containing inhibitors of thymidylate synthase. J. Med. Chem. 1992, 35:663-676.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 663-676
-
-
Varney, M.D.1
Marzoni, G.P.2
Palmer, C.L.3
Deal, J.G.4
Webber, S.5
Welsh, K.M.6
Bacquet, R.J.7
Bartlett, C.A.8
Morse, C.A.9
Booth, C.L.J.10
Herrmann, S.M.11
Howland, E.F.12
Ward, R.W.13
White, J.14
-
137
-
-
0028057975
-
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors
-
Lam P.Y.S., Jadhav P.K., Eyermann C.J., Hodge C.N., Ru Y., Bacheler L.T., Meek J.L., Otto M.J., Rayner M.M., Wong Y.N., Chang C.-H., Weber P.C., Jackson D.A., Sharpe T.R., Erickson-Viitanen S. 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
Chang, C.-H.11
Weber, P.C.12
Jackson, D.A.13
Sharpe, T.R.14
Erickson-Viitanen, S.15
-
138
-
-
0037147768
-
Structure-based design and protein X-ray analysis of a protein kinase inhibitor
-
Furet P., Meyer T., Strauss A., Raccuglia S., Rondeau J.-M. Structure-based design and protein X-ray analysis of a protein kinase inhibitor. Bioorg. Med. Chem. Lett. 2002, 12:221-224.
-
(2002)
Bioorg. Med. Chem. Lett.
, vol.12
, pp. 221-224
-
-
Furet, P.1
Meyer, T.2
Strauss, A.3
Raccuglia, S.4
Rondeau, J.-M.5
-
139
-
-
33748786316
-
Design and synthesis of substituted pyridine derivatives as HIF-1 alpha; prolyl hydroxylase inhibitors
-
Warshakoon N.C., Wu S., Boyer A., Kawamoto R., Sheville J., Bhatt R.T., Renock S., Xu K., Pokross M., Zhou S., Walter R., Mekel M., Evdokimov A.G., East S. Design and synthesis of substituted pyridine derivatives as HIF-1α prolyl hydroxylase inhibitors. Bioorg. Med. Chem. Lett. 2006, 16:5616-5620.
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, pp. 5616-5620
-
-
Warshakoon, N.C.1
Wu, S.2
Boyer, A.3
Kawamoto, R.4
Sheville, J.5
Bhatt, R.T.6
Renock, S.7
Xu, K.8
Pokross, M.9
Zhou, S.10
Walter, R.11
Mekel, M.12
Evdokimov, A.G.13
East, S.14
-
140
-
-
34248997450
-
De novo parallel design, synthesis and evaluation of inhibitors against the reverse transcriptase of human immunodeficiency virus type-1 and drug resistant variants
-
Herschhorn A., Lerman L., Weitman M., Gleenberg I.O., Nudelman A., Hizi A. De novo parallel design, synthesis and evaluation of inhibitors against the reverse transcriptase of human immunodeficiency virus type-1 and drug resistant variants. J. Med. Chem. 2007, 50:2370-2384.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 2370-2384
-
-
Herschhorn, A.1
Lerman, L.2
Weitman, M.3
Gleenberg, I.O.4
Nudelman, A.5
Hizi, A.6
-
141
-
-
11144323163
-
Virtual screening of chemical libraries
-
Shoichet B.K. Virtual screening of chemical libraries. Nature, 2004, 432:862-865.
-
(2004)
Nature,
, vol.432
, pp. 862-865
-
-
Shoichet, B.K.1
-
142
-
-
33745199815
-
Virtual ligand screening: strategies, perspectives and limitations
-
Klebe G. Virtual ligand screening: strategies, perspectives and limitations. Drug Discov. Today. 2006, 11:580-594.
-
(2006)
Drug Discov. Today.
, vol.11
, pp. 580-594
-
-
Klebe, G.1
-
143
-
-
34447275949
-
Ligand docking and structure-based virtual screening in drug discovery
-
Cavasotto C.N., Orry A.J.W. Ligand docking and structure-based virtual screening in drug discovery. Curr. Topics Med. Chem. 2007, 7:1006-1014.
-
(2007)
Curr. Topics Med. Chem.
, vol.7
, pp. 1006-1014
-
-
Cavasotto, C.N.1
Orry, A.J.W.2
-
144
-
-
3242884966
-
High-throughput docking as a source of novel drug leads
-
Alvarez J.C. High-throughput docking as a source of novel drug leads. Curr. Opin. Chem. Biol. 2004, 8:365-370.
-
(2004)
Curr. Opin. Chem. Biol.
, vol.8
, pp. 365-370
-
-
Alvarez, J.C.1
-
145
-
-
3342933156
-
Target-biased scoring approaches and expert systems in structure-based virtual screening
-
Jansen J.M., Martin E.J. Target-biased scoring approaches and expert systems in structure-based virtual screening. Curr. Opin. Chem. Biol. 2004, 8:359-364.
-
(2004)
Curr. Opin. Chem. Biol.
, vol.8
, pp. 359-364
-
-
Jansen, J.M.1
Martin, E.J.2
-
146
-
-
34250839499
-
How reliable are current docking approaches for structure-based drug design? Lessons from aldose reductase
-
Zentgraf M., Steuber H., Koch C., La Motta C., Sartini S., Sotriffer C.A., Klebe G. How reliable are current docking approaches for structure-based drug design? Lessons from aldose reductase. Angew. Chem. Int. Ed. 2007, 46:3575-3578.
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 3575-3578
-
-
Zentgraf, M.1
Steuber, H.2
Koch, C.3
La Motta, C.4
Sartini, S.5
Sotriffer, C.A.6
Klebe, G.7
-
147
-
-
0035830767
-
Inhibitors of dihydrodipicolinate reductase, a key enzyme in the diaminopimelate pathway of Mycobacterium tuberculosis
-
Paiva A.M., Vanderwall D.E., Blanchard J.S., Kozarich J.W., Williamson J.M., Kelly T.M. Inhibitors of dihydrodipicolinate reductase, a key enzyme in the diaminopimelate pathway of Mycobacterium tuberculosis. Biochim. Biophys. Acta. 2001, 1545:67-77.
-
(2001)
Biochim. Biophys. Acta.
, vol.1545
, pp. 67-77
-
-
Paiva, A.M.1
Vanderwall, D.E.2
Blanchard, J.S.3
Kozarich, J.W.4
Williamson, J.M.5
Kelly, T.M.6
-
148
-
-
0036076470
-
Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta;-lactamase
-
Powers R.A., Morandi F., Shoichet B.K. Structure-based discovery of a novel, noncovalent inhibitor of AmpC β-lactamase. Structure, 2002, 10:1013-1023.
-
(2002)
Structure,
, vol.10
, pp. 1013-1023
-
-
Powers, R.A.1
Morandi, F.2
Shoichet, B.K.3
-
149
-
-
0037493019
-
Structure-based inhibitor discovery against adenylyl cyclase toxins from pathogenic bacteria that cause anthrax and whooping cough
-
Soelaiman S., Wei B.Q., Bergson P., Lee Y.-S., Shen Y., Mrksich M., Shoichet B.K., Tang W.-J. Structure-based inhibitor discovery against adenylyl cyclase toxins from pathogenic bacteria that cause anthrax and whooping cough. J. Biol. Chem. 2003, 278:25990-25997.
-
(2003)
J. Biol. Chem.
, vol.278
, pp. 25990-25997
-
-
Soelaiman, S.1
Wei, B.Q.2
Bergson, P.3
Lee, Y.-S.4
Shen, Y.5
Mrksich, M.6
Shoichet, B.K.7
Tang, W.-J.8
-
150
-
-
0345269288
-
Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis
-
Brenk R., Naerum L., Grädler U., Gerber H.-D., Garcia G.A., Reuter K., Stubbs M.T., Klebe G. Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis. J. Med. Chem. 2003, 46:1133-1143.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1133-1143
-
-
Brenk, R.1
Naerum, L.2
Grädler, U.3
Gerber, H.-D.4
Garcia, G.A.5
Reuter, K.6
Stubbs, M.T.7
Klebe, G.8
-
151
-
-
0038792292
-
Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking
-
Vangrevelinghe E., Zimmermann K., Schoepfer J., Portmann R., Fabbro D., Furet P. Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking. J. Med. Chem. 2003, 46:2656-2662.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2656-2662
-
-
Vangrevelinghe, E.1
Zimmermann, K.2
Schoepfer, J.3
Portmann, R.4
Fabbro, D.5
Furet, P.6
-
152
-
-
0344496021
-
Successful shape-based virtual screening: the discovery of a potent inhibitor of the type I TGF beta; receptor kinase (T beta;RI)
-
Singh J., Chuaqui C.E., Boriack-Sjodin P.A., Lee W.-C., Pontz T., Corbley M.J., Cheung H.-K., Arduini R.M., Mead J.N., Newman M.N., Papadatos J.L., Bowes S., Josiah S., Ling L.E. Successful shape-based virtual screening: the discovery of a potent inhibitor of the type I TGFβ receptor kinase (TβRI). Bioorg. Med. Chem. Lett. 2003, 13:4355-4359.
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, pp. 4355-4359
-
-
Singh, J.1
Chuaqui, C.E.2
Boriack-Sjodin, P.A.3
Lee, W.-C.4
Pontz, T.5
Corbley, M.J.6
Cheung, H.-K.7
Arduini, R.M.8
Mead, J.N.9
Newman, M.N.10
Papadatos, J.L.11
Bowes, S.12
Josiah, S.13
Ling, L.E.14
-
153
-
-
2542631937
-
Virtual screening for inhibitors of human aldose reductase
-
Kraemer O., Hazemann I., Podjarny A.D., Klebe G. Virtual screening for inhibitors of human aldose reductase. Proteins, 2004, 55:814-823.
-
(2004)
Proteins,
, vol.55
, pp. 814-823
-
-
Kraemer, O.1
Hazemann, I.2
Podjarny, A.D.3
Klebe, G.4
-
154
-
-
26844524967
-
Structure-based discovery of a new class of Hsp90 inhibitors
-
Barril X., Brough P., Drysdale M., Hubbard R.E., Massey A., Surgenor A., Wright L. Structure-based discovery of a new class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett. 2005, 15:5187-5191.
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 5187-5191
-
-
Barril, X.1
Brough, P.2
Drysdale, M.3
Hubbard, R.E.4
Massey, A.5
Surgenor, A.6
Wright, L.7
-
155
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann M.M., Leach A.R., Harper G. Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Comput. Sci. 2001, 41:856-864.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
156
-
-
1942453243
-
Ligand efficiency: a useful metric for lead selection
-
Hopkins A.L., Groom C.R., Alex A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today, 2004, 9:430-431.
-
(2004)
Drug Discov. Today,
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
157
-
-
34447548576
-
Ligand efficiency indices for effective drug discovery
-
Abad-Zapatero C. Ligand efficiency indices for effective drug discovery. Expert Opin. Drug Discov. 2007, 2:469-488.
-
(2007)
Expert Opin. Drug Discov.
, vol.2
, pp. 469-488
-
-
Abad-Zapatero, C.1
-
158
-
-
0033576601
-
The design of leadlike combinatorial libraries
-
Teague S.J., Davis A.M., Leeson P.D., Oprea T. The design of leadlike combinatorial libraries. Angew. Chem. Int. Ed. 1999, 38:3743-3748.
-
(1999)
Angew. Chem. Int. Ed.
, vol.38
, pp. 3743-3748
-
-
Teague, S.J.1
Davis, A.M.2
Leeson, P.D.3
Oprea, T.4
-
159
-
-
0141726877
-
A quot;rule of three quot; for fragment-based lead discovery?
-
Congreve M., Carr R., Murray C., Jhoti H. A "rule of three" for fragment-based lead discovery?. Drug Discov. Today, 2003, 8:876-877.
-
(2003)
Drug Discov. Today,
, vol.8
, pp. 876-877
-
-
Congreve, M.1
Carr, R.2
Murray, C.3
Jhoti, H.4
-
160
-
-
0024745871
-
The price of lost freedom: entropy of bimolecular complex formation
-
Finkelstein A.V., Janin J. The price of lost freedom: entropy of bimolecular complex formation. Protein Eng. 1989, 3:1-3.
-
(1989)
Protein Eng.
, vol.3
, pp. 1-3
-
-
Finkelstein, A.V.1
Janin, J.2
-
161
-
-
0036821028
-
The consequences of translational and rotational entropy lost by small molecules on binding to proteins
-
Murray C.W., Verdonk M.L. The consequences of translational and rotational entropy lost by small molecules on binding to proteins. J. Comput. Aided Mol. Des. 2002, 16:741-753.
-
(2002)
J. Comput. Aided Mol. Des.
, vol.16
, pp. 741-753
-
-
Murray, C.W.1
Verdonk, M.L.2
-
162
-
-
33847381100
-
A decade of fragment-based drug design: strategic advances and lessons learned
-
Hajduk P.J., Greer J. A decade of fragment-based drug design: strategic advances and lessons learned. Nat. Rev. Drug Discov. 2007, 6:211-219.
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
163
-
-
4344592378
-
Fragment-based lead discovery
-
Rees D.C., Congreve M., Murray C.W., Carr R. Fragment-based lead discovery. Nat. Rev. Drug Discov. 2004, 3:660-672.
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 660-672
-
-
Rees, D.C.1
Congreve, M.2
Murray, C.W.3
Carr, R.4
-
164
-
-
84882508543
-
-
Fragment-based Approaches in Drug Discovery. Methods and Principles in Medicinal Chemistry (Jahnke, W.; Erlanson, D. A., Eds.), Vol. 34. Wiley-VCH, weinheim, Germany 2006.
-
-
-
-
165
-
-
0034629461
-
Re-engineering of human urokinase provides a system for structure-based drug design at high resolution and reveals a novel structural subsite
-
Nienaber V., Wang J., Davidson D., Henkin J. Re-engineering of human urokinase provides a system for structure-based drug design at high resolution and reveals a novel structural subsite. J. Biol. Chem. 2000, 275:7239-7248.
-
(2000)
J. Biol. Chem.
, vol.275
, pp. 7239-7248
-
-
Nienaber, V.1
Wang, J.2
Davidson, D.3
Henkin, J.4
-
166
-
-
33947612966
-
Applications of fragment-based screening by X-ray crystallography to beta;-secretase
-
Murray C.W., Callaghan O., Chessari G., Cleasby A., Congreve M., Frederickson M., Hartshorn M.J., McMenamin R., Patel S., Wallis N. Applications of fragment-based screening by X-ray crystallography to β-secretase. J. Med. Chem. 2007, 50:1116-1123.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 1116-1123
-
-
Murray, C.W.1
Callaghan, O.2
Chessari, G.3
Cleasby, A.4
Congreve, M.5
Frederickson, M.6
Hartshorn, M.J.7
McMenamin, R.8
Patel, S.9
Wallis, N.10
-
167
-
-
33947636525
-
Applications of fragment-based screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta;-secretase
-
Congreve M., Aharony D., Albert J., Callaghan O., Campbell J., Carr R.A.E., Chessari G., Cowan S., Edwards P.D., Frederickson M., McMenamin R., Murray C.W., Patel S., Wallis N. Applications of fragment-based screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of β-secretase. J. Med. Chem. 2007, 50:1124-1132.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 1124-1132
-
-
Congreve, M.1
Aharony, D.2
Albert, J.3
Callaghan, O.4
Campbell, J.5
Carr, R.A.E.6
Chessari, G.7
Cowan, S.8
Edwards, P.D.9
Frederickson, M.10
McMenamin, R.11
Murray, C.W.12
Patel, S.13
Wallis, N.14
-
168
-
-
19944434344
-
Identification of novel p38 alpha; MAP kinase inhibitors using fragment-based lead generation
-
Gill A.L., Frederickson M., Cleasby A., Woodhead S.J., Carr M.G., Woodhead A.J., Walker M.T., Congreve M.S., Devine L.A., Tisi D., O'Reilly M., Seavers L.C.A., Davis D.J., Curry J., Anthony R., Padova A., Murray C.W., Carr R.A.E., Jhoti H. Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem. 2005, 48:414-426.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 414-426
-
-
Gill, A.L.1
Frederickson, M.2
Cleasby, A.3
Woodhead, S.J.4
Carr, M.G.5
Woodhead, A.J.6
Walker, M.T.7
Congreve, M.S.8
Devine, L.A.9
Tisi, D.10
O'Reilly, M.11
Seavers, L.C.A.12
Davis, D.J.13
Curry, J.14
Anthony, R.15
Padova, A.16
Murray, C.W.17
Carr, R.A.E.18
Jhoti, H.19
-
169
-
-
20844437061
-
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
-
Card G.L., Blasdel L., England B.P., Zhang C., Suzuki Y., Gillette S., Fong D., Ibrahim P.N., Artis D.R., Bollag G., Milburn M.V., Kim S.-H., Schlessinger J., Zhang K.Y.J. A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Nat. Biotechnol. 2005, 23:201-207.
-
(2005)
Nat. Biotechnol.
, vol.23
, pp. 201-207
-
-
Card, G.L.1
Blasdel, L.2
England, B.P.3
Zhang, C.4
Suzuki, Y.5
Gillette, S.6
Fong, D.7
Ibrahim, P.N.8
Artis, D.R.9
Bollag, G.10
Milburn, M.V.11
Kim, S.-H.12
Schlessinger, J.13
Zhang, K.Y.J.14
-
170
-
-
27344436962
-
Measurements of binding thermodynamics in drug discovery
-
Holdgate G.A., Ward W.H.J. Measurements of binding thermodynamics in drug discovery. Drug Discov. Today, 2005, 10:1543-1550.
-
(2005)
Drug Discov. Today,
, vol.10
, pp. 1543-1550
-
-
Holdgate, G.A.1
Ward, W.H.J.2
-
171
-
-
84952944528
-
Quot;Hot spot quot; analysis of protein-binding sites as a prerequisite for structure-based virtual screening and lead optimization
-
Brenk R., Klebe G. quot;Hot spot" analysis of protein-binding sites as a prerequisite for structure-based virtual screening and lead optimization. Meth. Prin. Med. Chem. 2006, 32:171-192.
-
(2006)
Meth. Prin. Med. Chem.
, vol.32
, pp. 171-192
-
-
Brenk, R.1
Klebe, G.2
-
172
-
-
33746885488
-
Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods
-
Ciulli A., Williams G., Smith A.G., Blundell T.L., Abell C. Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods. J. Med. Chem. 2006, 49:4992-5000.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 4992-5000
-
-
Ciulli, A.1
Williams, G.2
Smith, A.G.3
Blundell, T.L.4
Abell, C.5
-
173
-
-
0033668689
-
Predicting binding modes, binding affinities and quot;hot spots quot; for protein-ligand complexes using a knowledge-based scoring function
-
Gohlke H., Hendlich M., Klebe G. Predicting binding modes, binding affinities and "hot spots" for protein-ligand complexes using a knowledge-based scoring function. Perspect. Drug Discov. Des. 2000, 20:115-144.
-
(2000)
Perspect. Drug Discov. Des.
, vol.20
, pp. 115-144
-
-
Gohlke, H.1
Hendlich, M.2
Klebe, G.3
-
174
-
-
0035970295
-
Superstar: improved knowledge-based interaction fields for protein binding sites
-
Verdonk M.L., Cole J.C., Watson P., Gillet V., Willett P. Superstar: improved knowledge-based interaction fields for protein binding sites. J. Mol. Biol. 2001, 307:841-859.
-
(2001)
J. Mol. Biol.
, vol.307
, pp. 841-859
-
-
Verdonk, M.L.1
Cole, J.C.2
Watson, P.3
Gillet, V.4
Willett, P.5
-
175
-
-
0037022302
-
Combinatorial computational method gives new picomolar ligands for a known enzyme
-
Grzybowski B.A., Ishchenko A.V., Kim C.-Y., Topalov G., Chapman R., Christianson D.W., Whitesides G.M., Shakhnovich E.I. Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc. Natl. Acad. Sci. USA. 2002, 99:1270-1273.
-
(2002)
Proc. Natl. Acad. Sci. USA.
, vol.99
, pp. 1270-1273
-
-
Grzybowski, B.A.1
Ishchenko, A.V.2
Kim, C.-Y.3
Topalov, G.4
Chapman, R.5
Christianson, D.W.6
Whitesides, G.M.7
Shakhnovich, E.I.8
-
176
-
-
2342586724
-
Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding
-
Perola E., Charifson P.S. Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding. J. Med. Chem. 2004, 47:2499-2510.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2499-2510
-
-
Perola, E.1
Charifson, P.S.2
-
177
-
-
0028846226
-
Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme
-
Kim E.E., Baker C.T., Dwyer M.D., Murcko M.A., Rao B.G., Tung R.D., Navia M.A. Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme. J. Am. Chem. Soc. 1995, 117:1181-1182.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1181-1182
-
-
Kim, E.E.1
Baker, C.T.2
Dwyer, M.D.3
Murcko, M.A.4
Rao, B.G.5
Tung, R.D.6
Navia, M.A.7
-
178
-
-
0028297112
-
Application of the three-dimensional structures of protein target molecules in structure-based drug design
-
Greer J., Erickson J.W., Baldwin J.J., Varney M.D. Application of the three-dimensional structures of protein target molecules in structure-based drug design. J. Med. Chem. 1994, 37:1035-1054.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1035-1054
-
-
Greer, J.1
Erickson, J.W.2
Baldwin, J.J.3
Varney, M.D.4
-
179
-
-
0027141495
-
Design and synthesis of an orally active macrocyclic neutral endopeptidase 24.11 inhibitor
-
MacPherson L.J., Bayburt E.K., Capparelli M.P., Bohacek R.S., Clarke F.H., Ghai R.D., Sakane Y., Berry C.J., Peppard J.V., Trapani A.J. Design and synthesis of an orally active macrocyclic neutral endopeptidase 24.11 inhibitor. J. Med. Chem. 1993, 36:3821-3828.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 3821-3828
-
-
MacPherson, L.J.1
Bayburt, E.K.2
Capparelli, M.P.3
Bohacek, R.S.4
Clarke, F.H.5
Ghai, R.D.6
Sakane, Y.7
Berry, C.J.8
Peppard, J.V.9
Trapani, A.J.10
-
180
-
-
20144387816
-
Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13)
-
Kim S.-H., Pudzianowski A.T., Leavitt K.J., Barbosa J., McDonnell P.A., Metzler W.J., Rankin B.M., Liu R., Vaccaro W., Pitts W. Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg. Med. Chem. Lett. 2005, 15:1101-1106.
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 1101-1106
-
-
Kim, S.-H.1
Pudzianowski, A.T.2
Leavitt, K.J.3
Barbosa, J.4
McDonnell, P.A.5
Metzler, W.J.6
Rankin, B.M.7
Liu, R.8
Vaccaro, W.9
Pitts, W.10
-
181
-
-
0036078615
-
Overcoming drug resistance in HIV-1 chemotherapy: the binding thermodynamics of Amprenavir and TMC-126 to wild-type and drug resistant mutants of the HIV-1 protease
-
Ohtaka H., Velázquez-Campoy A., Xie D., Freire E. Overcoming drug resistance in HIV-1 chemotherapy: the binding thermodynamics of Amprenavir and TMC-126 to wild-type and drug resistant mutants of the HIV-1 protease. Protein Science 2002, 11:1908-1916.
-
(2002)
Protein Science
, vol.11
, pp. 1908-1916
-
-
Ohtaka, H.1
Velázquez-Campoy, A.2
Xie, D.3
Freire, E.4
-
182
-
-
0034333415
-
Structure-based drug design of non-nucleoside inhibitors for wild-type and drug resistant HIV reverse transcriptase
-
Mao C., Sudbeck E.A., Ventakatachalam T.K., Uckun F.M. Structure-based drug design of non-nucleoside inhibitors for wild-type and drug resistant HIV reverse transcriptase. Biochem. Pharmacol. 2000, 60:1251-1265.
-
(2000)
Biochem. Pharmacol.
, vol.60
, pp. 1251-1265
-
-
Mao, C.1
Sudbeck, E.A.2
Ventakatachalam, T.K.3
Uckun, F.M.4
-
183
-
-
2342620790
-
Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants
-
Das K., Clark A.D., Lewi P.J., Heeres J., de Jonge M.R., Koymans L.M.H., Vinkers H.M., Daeyaert F., Ludovici D.W., Kukla M.J., De Corte B., Kavash R.W., Ho C.Y., Ye H., Lichtenstein M.A., Andries K., Pauwels R., de Béthune M.-P., Boyer P.L., Clark P., Hughes S.H., Janssen P.A.J., Arnold E. Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants. J. Med. Chem. 2004, 47:2550-2560.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2550-2560
-
-
Das, K.1
Clark, A.D.2
Lewi, P.J.3
Heeres, J.4
de Jonge, M.R.5
Koymans, L.M.H.6
Vinkers, H.M.7
Daeyaert, F.8
Ludovici, D.W.9
Kukla, M.J.10
De Corte, B.11
Kavash, R.W.12
Ho, C.Y.13
Ye, H.14
Lichtenstein, M.A.15
Andries, K.16
Pauwels, R.17
de Béthune, M.-P.18
Boyer, P.L.19
Clark, P.20
Hughes, S.H.21
Janssen, P.A.J.22
Arnold, E.23
more..
-
184
-
-
0034093758
-
HIV-1 protease inhibitors: enthalpic versus entropic optimization of the binding affinity
-
Velazquez-Campoy A., Todd M.J., Freire E. HIV-1 protease inhibitors: enthalpic versus entropic optimization of the binding affinity. Biochemistry, 2000, 39:2201-2207.
-
(2000)
Biochemistry,
, vol.39
, pp. 2201-2207
-
-
Velazquez-Campoy, A.1
Todd, M.J.2
Freire, E.3
-
185
-
-
0028245052
-
Design of orally active, non-peptidic inhibitors of human leukocyte elastase
-
Brown F.J., Andisik D.W., Bernstein P.R., Bryant C.B., Ceccarelli C., Damewood J.R., Edwards P.D., Earley R.A., Feeney S., Green R.C., Gomes B., Kosmider B.J., Krell R.D., Shaw A., Steelman G.B., Thomas R.M., Vacek E.P., Veale C.A., Tuthill P.A., Warner P., Williams J.C., Wolanin D.J., Woolson S.A. Design of orally active, non-peptidic inhibitors of human leukocyte elastase. J. Med. Chem. 1994, 37:1259-1261.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1259-1261
-
-
Brown, F.J.1
Andisik, D.W.2
Bernstein, P.R.3
Bryant, C.B.4
Ceccarelli, C.5
Damewood, J.R.6
Edwards, P.D.7
Earley, R.A.8
Feeney, S.9
Green, R.C.10
Gomes, B.11
Kosmider, B.J.12
Krell, R.D.13
Shaw, A.14
Steelman, G.B.15
Thomas, R.M.16
Vacek, E.P.17
Veale, C.A.18
Tuthill, P.A.19
Warner, P.20
Williams, J.C.21
Wolanin, D.J.22
Woolson, S.A.23
more..
-
186
-
-
2442647742
-
BREED: generating novel inhibitors through hybridization of known ligands. Application to CDK2, P38, and HIV protease
-
Pierce A.C., Rao G., Bemis G.W. BREED: generating novel inhibitors through hybridization of known ligands. Application to CDK2, P38, and HIV protease. J. Med. Chem. 2004, 47:2768-2775.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2768-2775
-
-
Pierce, A.C.1
Rao, G.2
Bemis, G.W.3
-
187
-
-
12444257368
-
Imidazo[1,2a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hydridisation
-
Anderson, M., Beattie, J. F., Breault, G. A., Breed, J., Byth, K. F., Culshaw, J. D., Ellston, R. P. A., Green, S., Minshull, C. A., Norman, R. A.,. Pauptit, R. A., Stanway, J., Thomas, A. P., Jewsbury, P. J. Imidazo[1,2a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hydridisation. Bioorg. Med. Chem. Lett. 2003, 13, 3021-3026.
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, pp. 3021-3026
-
-
Anderson, M.1
Beattie, J.F.2
Breault, G.A.3
Breed, J.4
Byth, K.F.5
Culshaw, J.D.6
Ellston, R.P.A.7
Green, S.8
Minshull, C.A.9
Norman, R.A.10
Pauptit, R.A.11
Stanway, J.12
Thomas, A.P.13
Jewsbury, P.J.14
-
188
-
-
0347129832
-
A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hydridization
-
Terasaka T., Kinoshita T., Kuno M., Nakanishi I. A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hydridization. J. Am. Chem. Soc. 2004, 126:34-35.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 34-35
-
-
Terasaka, T.1
Kinoshita, T.2
Kuno, M.3
Nakanishi, I.4
-
189
-
-
0033102135
-
Renin inhibition by substituted piperidines: a novel paradigm for the inhibition of monomeric aspartic proteinases?
-
Oefner C., Binggeli A., Breu V., Bur D., Clozel J.P., D'Arcy A., Dorn A., Fischli W., Gruninger F., Guller R., Hirth G., Marki H.P., Mathews S., Muller M., Ridley R.G., Stadler H., Vieira E., Wilhelm M., Winkler F.K., Wostl W. Renin inhibition by substituted piperidines: a novel paradigm for the inhibition of monomeric aspartic proteinases?. Chem. Biol. 1999, 6:127-131.
-
(1999)
Chem. Biol.
, vol.6
, pp. 127-131
-
-
Oefner, C.1
Binggeli, A.2
Breu, V.3
Bur, D.4
Clozel, J.P.5
D'Arcy, A.6
Dorn, A.7
Fischli, W.8
Gruninger, F.9
Guller, R.10
Hirth, G.11
Marki, H.P.12
Mathews, S.13
Muller, M.14
Ridley, R.G.15
Stadler, H.16
Vieira, E.17
Wilhelm, M.18
Winkler, F.K.19
Wostl, W.20
more..
-
190
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
Hartshorn M.J., Murray C.W., Cleasby A., Frederickson M., Tickle I.J., Jhoti H. Fragment-based lead discovery using X-ray crystallography. J. Med. Chem. 2005, 48:403-413.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 403-413
-
-
Hartshorn, M.J.1
Murray, C.W.2
Cleasby, A.3
Frederickson, M.4
Tickle, I.J.5
Jhoti, H.6
-
191
-
-
0037030686
-
SAR and X-ray. A new approach combining fragment-based screening and rational drug design: Application to the Discovery of Nanomolar Inhibitors of Src SH2
-
Lesuisse, D., Lange, G., Deprez, P., Bénard, D., Schoot, B., Delettre, G., Marquette, J.-P., Broto, P., Jean-Baptiste, V., Bichet, P., Sarubbi, E., Mandine, E. SAR and X-ray. A new approach combining fragment-based screening and rational drug design: Application to the Discovery of Nanomolar Inhibitors of Src SH2. J. Med. Chem. 2002, 45, 2379-2387.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2379-2387
-
-
Lesuisse, D.1
Lange, G.2
Deprez, P.3
Bénard, D.4
Schoot, B.5
Delettre, G.6
Marquette, J.-P.7
Broto, P.8
Jean-Baptiste, V.9
Bichet, P.10
Sarubbi, E.11
Mandine, E.12
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