-
1
-
-
20444486559
-
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
-
Oltersdorf, T. et al. An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature 435, 677-681 (2005).
-
(2005)
Nature
, vol.435
, pp. 677-681
-
-
Oltersdorf, T.1
-
2
-
-
10744221485
-
In vivo activation of the p53 pathway by small-molecule antagonists of MDM2
-
Vassilev, L. T. et al. In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science 303, 844-848 (2004).
-
(2004)
Science
, vol.303
, pp. 844-848
-
-
Vassilev, L.T.1
-
3
-
-
0033213239
-
The finer things in X-ray diffraction data collection
-
Pflugrath, J. W. The finer things in X-ray diffraction data collection. Acta Crystallogr D Biol Crystallogr 55, 1718-1725 (1999).
-
(1999)
Acta Crystallogr D Biol Crystallogr
, vol.55
, pp. 1718-1725
-
-
Pflugrath, J.W.1
-
4
-
-
3142781225
-
Small-molecule inhibitors of protein-protein interactions: Progressing towards the dream
-
Arkin, M. R. & Wells, J. A. Small-molecule inhibitors of protein-protein interactions: progressing towards the dream. Nat Rev Drug Discov 3, 301-317 (2004).
-
(2004)
Nat Rev Drug Discov
, vol.3
, pp. 301-317
-
-
Arkin, M.R.1
Wells, J.A.2
-
5
-
-
77649186561
-
Structural characterization of BRCT-tetrapeptide binding interactions
-
Joseph, P. R. et al. Structural characterization of BRCT-tetrapeptide binding interactions. Biochem Biophys Res Commun 393, 207-210 (2010).
-
(2010)
Biochem Biophys Res Commun
, vol.393
, pp. 207-210
-
-
Joseph, P.R.1
-
6
-
-
0030575937
-
Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain
-
Kussie, P. H. et al. Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain. Science 274, 948-953 (1996).
-
(1996)
Science
, vol.274
, pp. 948-953
-
-
Kussie, P.H.1
-
7
-
-
84857712365
-
Protein-protein interaction inhibitors get into the groove
-
Mullard, A. Protein-protein interaction inhibitors get into the groove. Nat Rev Drug Discov 11, 173-175 (2012).
-
(2012)
Nat Rev Drug Discov
, vol.11
, pp. 173-175
-
-
Mullard, A.1
-
8
-
-
0035415663
-
SH2 domain inhibition: A problem solved?
-
Shakespeare, W. C. SH2 domain inhibition: a problem solved? Curr Opin Chem Biol 5, 409-415 (2001).
-
(2001)
Curr Opin Chem Biol
, vol.5
, pp. 409-415
-
-
Shakespeare, W.C.1
-
9
-
-
84862908454
-
Structure ofthe stapled p53 peptide bound toMdm2
-
Baek, S. et al. Structure ofthe stapled p53 peptide bound toMdm2. J AmChem Soc 134, 103-106 (2011).
-
(2011)
J AmChem Soc
, vol.134
, pp. 103-106
-
-
Baek, S.1
-
10
-
-
17444383130
-
Bridged peptide macrocycles as ligands for PDZ domain proteins
-
Udugamasooriya, G., Saro, D. & Spaller, M. R. Bridged peptide macrocycles as ligands for PDZ domain proteins. Org Lett 7, 1203-1206 (2005).
-
(2005)
Org Lett
, vol.7
, pp. 1203-1206
-
-
Udugamasooriya, G.1
Saro, D.2
Spaller, M.R.3
-
11
-
-
57349192372
-
A hydrogen bond surrogate approach for stabilization of short peptide sequences in alpha-helical conformation
-
Patgiri, A., Jochim, A. L. & Arora, P. S. A hydrogen bond surrogate approach for stabilization of short peptide sequences in alpha-helical conformation. Acc Chem Res 41, 1289-1300 (2008).
-
(2008)
Acc Chem Res
, vol.41
, pp. 1289-1300
-
-
Patgiri, A.1
Jochim, A.L.2
Arora, P.S.3
-
12
-
-
27144476545
-
Enhanced metabolic stability and proteinbinding properties of artificial alpha helices derived from a hydrogen-bond surrogate: Application to Bcl-xL
-
Wang, D., Liao, W. & Arora, P. S. Enhanced metabolic stability and proteinbinding properties of artificial alpha helices derived from a hydrogen-bond surrogate: application to Bcl-xL. Angew Chem Int Ed Engl 44, 6525-6529 (2005).
-
(2005)
Angew Chem Int Ed Engl
, vol.44
, pp. 6525-6529
-
-
Wang, D.1
Liao, W.2
Arora, P.S.3
-
13
-
-
44949231073
-
Peptidomimetics, a synthetic tool of drug discovery
-
Vagner, J., Qu, H. & Hruby, V. J. Peptidomimetics, a synthetic tool of drug discovery. Curr Opin Chem Biol 12, 292-296 (2008).
-
(2008)
Curr Opin Chem Biol
, vol.12
, pp. 292-296
-
-
Vagner, J.1
Qu, H.2
Hruby, V.J.3
-
14
-
-
79751501596
-
High specificity in protein recognition by hydrogen-bond-surrogate alpha-helices: Selective inhibition of the p53/MDM2 complex
-
Henchey, L. K., Porter, J. R., Ghosh, I. & Arora, P. S. High specificity in protein recognition by hydrogen-bond-surrogate alpha-helices: selective inhibition of the p53/MDM2 complex. Chembiochem 11, 2104-2107 (2010).
-
(2010)
Chembiochem
, vol.11
, pp. 2104-2107
-
-
Henchey, L.K.1
Porter, J.R.2
Ghosh, I.3
Arora, P.S.4
-
15
-
-
70450194691
-
Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization
-
DeLorbe, J. E. et al. Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization. J Am Chem Soc 131, 16758-16770 (2009).
-
(2009)
J Am Chem Soc
, vol.131
, pp. 16758-16770
-
-
De Lorbe, J.E.1
-
16
-
-
34548441314
-
Thermodynamics of phosphopeptide tethering to BRCT: The structural minima for inhibitor design
-
Lokesh, G. L., Muralidhara, B. K., Negi, S. S. & Natarajan, A. Thermodynamics of phosphopeptide tethering to BRCT: the structural minima for inhibitor design. J Am Chem Soc 129, 10658-10659 (2007).
-
(2007)
J Am Chem Soc
, vol.129
, pp. 10658-10659
-
-
Lokesh, G.L.1
Muralidhara, B.K.2
Negi, S.S.3
Natarajan, A.4
-
17
-
-
79959454030
-
Structure-activity relationship studiestoprobe the phosphoprotein binding siteonthe carboxy terminal domains of the breast cancer susceptibility gene 1
-
Yuan, Z., Kumar, E. A., Kizhake, S. & Natarajan, A. Structure-activity relationship studiestoprobe the phosphoprotein binding siteonthe carboxy terminal domains of the breast cancer susceptibility gene 1. J Med Chem 54, 4264-4268 (2011).
-
(2011)
J Med Chem
, vol.54
, pp. 4264-4268
-
-
Yuan, Z.1
Kumar, E.A.2
Kizhake, S.3
Natarajan, A.4
-
18
-
-
80054764503
-
Exploiting the P-1 pocket of BRCT domains toward a structure guided inhibitor design
-
Yuan, Z. et al. Exploiting the P-1 pocket of BRCT domains toward a structure guided inhibitor design. ACS Med Chem Lett 2, 764-767 (2011).
-
(2011)
ACS Med Chem Lett
, vol.2
, pp. 764-767
-
-
Yuan, Z.1
-
19
-
-
39749162335
-
Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT-phosphoprotein interaction
-
Simeonov, A. et al. Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT-phosphoprotein interaction. Anal Biochem 375, 60-70 (2008).
-
(2008)
Anal Biochem
, vol.375
, pp. 60-70
-
-
Simeonov, A.1
-
20
-
-
0038386452
-
Escape from Cbl-mediated downregulation: A recurrent theme for oncogenic deregulation of receptor tyrosine kinases
-
Peschard, P. & Park, M. Escape from Cbl-mediated downregulation: a recurrent theme for oncogenic deregulation of receptor tyrosine kinases. Cancer Cell 3, 519-523 (2003).
-
(2003)
Cancer Cell
, vol.3
, pp. 519-523
-
-
Peschard, P.1
Park, M.2
-
21
-
-
77955117637
-
Deregulated intracellular signaling by mutated c-CBL in myeloid neoplasms
-
Ogawa, S. et al. Deregulated intracellular signaling by mutated c-CBL in myeloid neoplasms. Clin Cancer Res 16, 3825-3831 (2010).
-
(2010)
Clin Cancer Res
, vol.16
, pp. 3825-3831
-
-
Ogawa, S.1
-
22
-
-
68949124841
-
Gain-of-function of mutated C-CBL tumour suppressor in myeloid neoplasms
-
Sanada, M. et al. Gain-of-function of mutated C-CBL tumour suppressor in myeloid neoplasms. Nature 460, 904-908 (2009).
-
(2009)
Nature
, vol.460
, pp. 904-908
-
-
Sanada, M.1
-
23
-
-
84869112362
-
Protein tyrosine kinase regulation by ubiquitination: Critical roles of Cbl-family ubiquitin ligases
-
Mohapatra, B. et al. Protein tyrosine kinase regulation by ubiquitination: Critical roles of Cbl-family ubiquitin ligases. Biochim Biophys Acta 1833, 122-139 (2012).
-
(2012)
Biochim Biophys Acta
, vol.1833
, pp. 122-139
-
-
Mohapatra, B.1
-
24
-
-
84859793038
-
Peptide truncation leads to a twist and an unusual increase in affinity for casitas B-lineage lymphoma tyrosine kinase binding domain
-
Kumar, E. A. et al. Peptide truncation leads to a twist and an unusual increase in affinity for casitas B-lineage lymphoma tyrosine kinase binding domain. J Med Chem 55, 3583-3587 (2012).
-
(2012)
J Med Chem
, vol.55
, pp. 3583-3587
-
-
Kumar, E.A.1
-
25
-
-
0000670923
-
Structure of poly-L-proline
-
Cowan, P. M. & McGavin, S. Structure of poly-L-proline. Nature 176, 470-478 (1955).
-
(1955)
Nature
, vol.176
, pp. 470-478
-
-
Cowan, P.M.1
McGavin, S.2
-
26
-
-
0025890946
-
Influence of proline residues on protein conformation
-
MacArthur, M. W. & Thornton, J. M. Influence of proline residues on protein conformation. J Mol Bio 218, 397-412 (1991).
-
(1991)
J Mol Bio
, vol.218
, pp. 397-412
-
-
MacArthur, M.W.1
Thornton, J.M.2
-
27
-
-
0032980562
-
A survey of left-handed polyproline II helices
-
Stapley, B. J. & Creamer, T. P. A survey of left-handed polyproline II helices. Protein Sci 8, 587-595 (1999).
-
(1999)
Protein Sci
, vol.8
, pp. 587-595
-
-
Stapley, B.J.1
Creamer, T.P.2
-
28
-
-
0030603082
-
Conformational stability of proline oligomers
-
Zhang, R. & Madalengoitia, J. S. Conformational stability of proline oligomers. Tetrahedron Lett 37, 6235 (1996).
-
(1996)
Tetrahedron Lett
, vol.37
, pp. 6235
-
-
Zhang, R.1
Madalengoitia, J.S.2
-
29
-
-
0032577028
-
A (1, 3) like strain as a key conformational control element in the design of poly-L-proline type II peptide mimics
-
Zhang, R., Brownewell, F. E. & Madalengoitia, J. S. A (1, 3) like strain as a key conformational control element in the design of poly-L-proline type II peptide mimics. J Am Chem Soc 120, 3894 (1998).
-
(1998)
J Am Chem Soc
, vol.120
, pp. 3894
-
-
Zhang, R.1
Brownewell, F.E.2
Madalengoitia, J.S.3
-
30
-
-
25144436860
-
Poly-L-proline type II peptide mimics as probes of the active site occupancy requirements of cGMP-dependent protein kinase
-
Zhang, R. et al. Poly-L-proline type II peptide mimics as probes of the active site occupancy requirements of cGMP-dependent protein kinase. J Pept Res 66, 151-159 (2005).
-
(2005)
J Pept Res
, vol.66
, pp. 151-159
-
-
Zhang, R.1
-
31
-
-
0035951555
-
Poly-L-proline type II peptide mimics based on the 3-azabicyclo[3.1.0]hexane system
-
Mamai, A., Zhang, R., Natarajan, A. & Madalengoitia, J. S. Poly-L-proline type II peptide mimics based on the 3-azabicyclo[3.1.0]hexane system. J Org Chem 66, 455-460 (2001).
-
(2001)
J Org Chem
, vol.66
, pp. 455-460
-
-
Mamai, A.1
Zhang, R.2
Natarajan, A.3
Madalengoitia, J.S.4
-
32
-
-
0033522219
-
Structure of the amino-terminal domain of Cbl complexed to its binding site on ZAP-70 kinase
-
Meng, W., Sawasdikosol, S., Burakoff, S. J. & Eck, M. J. Structure of the amino-terminal domain of Cbl complexed to its binding site on ZAP-70 kinase. Nature 398, 84-90 (1999).
-
(1999)
Nature
, vol.398
, pp. 84-90
-
-
Meng, W.1
Sawasdikosol, S.2
Burakoff, S.J.3
Eck, M.J.4
-
33
-
-
0034682718
-
Structure of a c-Cbl-UbcH7 complex: RING domain function in ubiquitin-protein ligases
-
Zheng, N., Wang, P., Jeffrey, P. D. & Pavletich, N. P. Structure of a c-Cbl-UbcH7 complex: RING domain function in ubiquitin-protein ligases. Cell 102, 533-539 (2000).
-
(2000)
Cell
, vol.102
, pp. 533-539
-
-
Zheng, N.1
Wang, P.2
Jeffrey, P.D.3
Pavletich, N.P.4
-
34
-
-
40949140084
-
Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
-
Ng, C. et al. Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates. Embo J 27, 804-816 (2008).
-
(2008)
Embo J
, vol.27
, pp. 804-816
-
-
Ng, C.1
-
35
-
-
79952453470
-
High-throughput fluorescence polarization assay to identify inhibitors of Cbl (TKB)-protein tyrosine kinase interactions
-
Kumar, E. A., Charvet, C. D., Lokesh, G. L. & Natarajan, A. High-throughput fluorescence polarization assay to identify inhibitors of Cbl (TKB)-protein tyrosine kinase interactions. Anal Biochem 411, 254-260 (2011).
-
(2011)
Anal Biochem
, vol.411
, pp. 254-260
-
-
Kumar, E.A.1
Charvet, C.D.2
Lokesh, G.L.3
Natarajan, A.4
-
36
-
-
0035929429
-
Synthesis of conformationally constrained arginine and ornithine analogues based on the 3-substituted pyrrolidine framework
-
Mamai, A., Hughes, N. E., Wurthmann, A. & Madalengoitia, J. S. Synthesis of conformationally constrained arginine and ornithine analogues based on the 3-substituted pyrrolidine framework. J Org Chem 66, 6483-6486 (2001).
-
(2001)
J Org Chem
, vol.66
, pp. 6483-6486
-
-
Mamai, A.1
Hughes, N.E.2
Wurthmann, A.3
Madalengoitia, J.S.4
-
37
-
-
84857031320
-
Dynamics and mechanisms of coupled protein folding and binding reactions
-
Kiefhaber, T., Bachmann, A. & Jensen, K. S. Dynamics and mechanisms of coupled protein folding and binding reactions. Curr Opin Struct Biol 22, 21-29 (2012).
-
(2012)
Curr Opin Struct Biol
, vol.22
, pp. 21-29
-
-
Kiefhaber, T.1
Bachmann, A.2
Jensen, K.S.3
-
38
-
-
0034517589
-
An approach to multi-copy search in molecular replacement
-
Vagin, A. & Teplyakov, A. An approach to multi-copy search in molecular replacement. Acta Crystallogr D Biol Crystallogr 56, 1622-1624 (2000).
-
(2000)
Acta Crystallogr D Biol Crystallogr
, vol.56
, pp. 1622-1624
-
-
Vagin, A.1
Teplyakov, A.2
-
39
-
-
79953737180
-
Overview of the CCP4 suite and current developments
-
Winn, M. D. et al. Overview of the CCP4 suite and current developments. Acta Crystallogr D Biol Crystallogr 67, 235-242 (2011).
-
(2011)
Acta Crystallogr D Biol Crystallogr
, vol.67
, pp. 235-242
-
-
Winn, M.D.1
-
40
-
-
79953763877
-
REFMAC5 for the refinement of macromolecular crystal structures
-
Murshudov, G. N. et al. REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr 67, 355-367 (2011).
-
(2011)
Acta Crystallogr D Biol Crystallogr
, vol.67
, pp. 355-367
-
-
Murshudov, G.N.1
-
41
-
-
77949535720
-
Features and development of Coot
-
Emsley, P., Lohkamp, B., Scott, W. G. & Cowtan, K. Features and development of Coot. Acta Crystallogr D Biol Crystallogr 66, 486-501 (2010).
-
(2010)
Acta Crystallogr D Biol Crystallogr
, vol.66
, pp. 486-501
-
-
Emsley, P.1
Lohkamp, B.2
Scott, W.G.3
Cowtan, K.4
-
42
-
-
7444262377
-
Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization
-
Nikolovska-Coleska, Z. et al. Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization. Anal Biochem 332, 261-273 (2004).
-
(2004)
Anal Biochem
, vol.332
, pp. 261-273
-
-
Nikolovska-Coleska, Z.1
-
43
-
-
4043162793
-
VEGA - An open platform to develop chemobio-informatics applications, using plug-in architecture and script programming
-
Pedretti, A., Villa, L. & Vistoli, G. VEGA - An open platform to develop chemobio-informatics applications, using plug-in architecture and script programming. Journal of Computer-Aided Molecular Design 18, doi:10.1023/B: JCAM.0000035186.90683.f2 (2004).
-
(2004)
Journal of Computer-aided Molecular Design
, vol.18
-
-
Pedretti, A.1
Villa, L.2
Vistoli, G.3
-
44
-
-
33748518255
-
Comparison of multiple Amber force fields and development of improved protein backbone parameters
-
Hornak, V. et al. Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins 65, 712-725 (2006).
-
(2006)
Proteins
, vol.65
, pp. 712-725
-
-
Hornak, V.1
-
45
-
-
23444454552
-
The Amber biomolecular simulation programs
-
Case, D. A. et al. The Amber biomolecular simulation programs. J Comput Chem 26, 1668-1688 (2005).
-
(2005)
J Comput Chem
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
-
46
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips, J. C. et al. Scalable molecular dynamics with NAMD. J Comput Chem 26, 1781-1802 (2005).
-
(2005)
J Comput Chem
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
-
47
-
-
33644753023
-
AMBER force-field parameters for phosphorylated amino acids in different protonation states: Phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine
-
Homeyer, N., Horn, A. H., Lanig, H. & Sticht, H. AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine. J Mol Model 12, 281-289 (2006).
-
(2006)
J Mol Model
, vol.12
, pp. 281-289
-
-
Homeyer, N.1
Horn, A.H.2
Lanig, H.3
Sticht, H.4
-
48
-
-
0001729674
-
X-ray and molecular dynamics studies of concanavalin-A glucoside and mannoside complexes - Relating structure to thermodynamics of binding
-
Bradbrook, G. M. et al. X-ray and molecular dynamics studies of concanavalin-A glucoside and mannoside complexes - Relating structure to thermodynamics of binding. Journal of the Chemical Society - Faraday Transactions 94, 1603-1611 (1998).
-
(1998)
Journal of the Chemical Society - Faraday Transactions
, vol.94
, pp. 1603-1611
-
-
Bradbrook, G.M.1
-
49
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang, J., Wolf, R. M., Caldwell, J. W., Kollman, P. A. & Case, D. A. Development and testing of a general amber force field. J Comput Chem 25, 1157-1174 (2004).
-
(2004)
J Comput Chem
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
50
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water. Journal of Chemical Physics 79, 926-935, doi:10.1063/1.445869 (1983).
-
(1983)
Journal of Chemical Physics
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
51
-
-
76149120388
-
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
-
Trott, O. & Olson, A. J. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31, 455-461 (2010).
-
(2010)
J Comput Chem
, vol.31
, pp. 455-461
-
-
Trott, O.1
Olson, A.J.2
|