SCOPUS 정보 검색 플랫폼

Angewandte Chemie - International Edition

Volumn 51, Issue 40, 2012, Pages 10078-10081

Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1

(7) Tan, Yaw Sing a Śledź, Paweł a,b Lang, Steffen a Stubbs, Christopher J a Spring, David R a Abell, Chris a Best, Robert B a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

b MAX PLANCK INSTITUTE OF BIOCHEMISTRY (Germany)

Author keywords

drug design; molecular dynamics; molecular recognition; protein dynamics; protein protein interactions

Indexed keywords

DRUG DESIGN; EXPLICIT SOLVENTS; HIGH AFFINITY; HYDROPHOBIC POCKETS; NOVEL LIGANDS; POLO-LIKE KINASE; PROTEIN DYNAMICS; PROTEIN-PROTEIN INTERACTIONS;

BINDING ENERGY; DESIGN; ENZYMES; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; PROTEINS; X RAY CRYSTALLOGRAPHY;

LIGANDS;

CELL CYCLE PROTEIN; LIGAND; ONCOPROTEIN; PHOSPHOPEPTIDE; POLO LIKE KINASE 1; POLO-LIKE KINASE 1; PROTEIN SERINE THREONINE KINASE;

ARTICLE; BINDING SITE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DELIVERY SYSTEM; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CELL CYCLE PROTEINS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DELIVERY SYSTEMS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MODELS, MOLECULAR; PHOSPHOPEPTIDES; PROTEIN-SERINE-THREONINE KINASES; PROTO-ONCOGENE PROTEINS;

EID: 84867010936 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201205676 Document Type: Article

Times cited : (71)

References (34)

1
- 54549098184
- P. Cozzini, G. E. Kellogg, F. Spyrakis, D. J. Abraham, G. Costantino, A. Emerson, F. Fanelli, H. Gohlke, L. A. Kuhn, G. M. Morris, M. Orozco, T. A. Pertinhez, M. Rizzi, C. A. Sotriffer, J. Med. Chem. 2008, 51, 6237-6255.
- (2008) J. Med. Chem. , vol.51 , pp. 6237-6255
- Cozzini, P.¹ Kellogg, G.E.² Spyrakis, F.³ Abraham, D.J.⁴ Costantino, G.⁵ Emerson, A.⁶ Fanelli, F.⁷ Gohlke, H.⁸ Kuhn, L.A.⁹ Morris, G.M.¹⁰ Orozco, M.¹¹ Pertinhez, T.A.¹² Rizzi, M.¹³ Sotriffer, C.A.¹⁴

2
- 79951783771
- G. Fuentes, S. G. Dastidar, A. Madhumalar, C. S. Verma, Drug Dev. Res. 2011, 72, 26-35.
- (2011) Drug Dev. Res. , vol.72 , pp. 26-35
- Fuentes, G.¹ Dastidar, S.G.² Madhumalar, A.³ Verma, C.S.⁴

3
- 0032897494
- M. J. Betts, M. J. E. Sternberg, Protein Eng. 1999, 12, 271-283.
- (1999) Protein Eng. , vol.12 , pp. 271-283
- Betts, M.J.¹ Sternberg, M.J.E.²

4
- 49449112578
- I. M. Withers, M. P. Mazanetz, H. Wang, P. M. Fischer, C. A. Laughton, J. Chem. Inf. Model. 2008, 48, 1448-1454.
- (2008) J. Chem. Inf. Model. , vol.48 , pp. 1448-1454
- Withers, I.M.¹ Mazanetz, M.P.² Wang, H.³ Fischer, P.M.⁴ Laughton, C.A.⁵

5
- 0034681465
- W. L. DeLano, M. H. Ultsch, A. M. de Vos, J. A. Wells, Science 2000, 287, 1279-1283.
- (2000) Science , vol.287 , pp. 1279-1283
- Delano, W.L.¹ Ultsch, M.H.² De Vos, A.M.³ Wells, J.A.⁴

6
- 0037666888
- S. J. Teague, Nat. Rev. Drug Discovery 2003, 2, 527-541.
- (2003) Nat. Rev. Drug Discovery , vol.2 , pp. 527-541
- Teague, S.J.¹

7
- 0028348704
- U. Holtrich, G. Wolf, A. Brauninger, T. Karn, B. Bohme, H. Rubsamenwaigmann, K. Strebhardt, Proc. Natl. Acad. Sci. USA 1994, 91, 1736-1740.
- (1994) Proc. Natl. Acad. Sci. USA , vol.91 , pp. 1736-1740
- Holtrich, U.¹ Wolf, G.² Brauninger, A.³ Karn, T.⁴ Bohme, B.⁵ Rubsamenwaigmann, H.⁶ Strebhardt, K.⁷

8
- 13244284602
- D. M. Lowery, D. Lim, M. B. Yaffe, Oncogene 2005, 24, 248-259.
- (2005) Oncogene , vol.24 , pp. 248-259
- Lowery, D.M.¹ Lim, D.² Yaffe, M.B.³

9
- 33645316142
- K. Strebhardt, A. Ullrich, Nat. Rev. Cancer 2006, 6, 321-330.
- (2006) Nat. Rev. Cancer , vol.6 , pp. 321-330
- Strebhardt, K.¹ Ullrich, A.²

10
- 0033986962
- S. Song, T. Z. Grenfell, S. Garfield, R. L. Erikson, K. S. Lee, Mol. Cell. Biol. 2000, 20, 286-298.
- (2000) Mol. Cell. Biol. , vol.20 , pp. 286-298
- Song, S.¹ Grenfell, T.Z.² Garfield, S.³ Erikson, R.L.⁴ Lee, K.S.⁵

11
- 0037386117
- N. Reynolds, H. Ohkura, J. Cell Sci. 2003, 116, 1377-1387.
- (2003) J. Cell Sci. , vol.116 , pp. 1377-1387
- Reynolds, N.¹ Ohkura, H.²

12
- 84864404061
- P. Śled, C. J. Stubbs, S. Lang, Y. Q. Yang, G. J. McKenzie, A. R. Venkitaraman, M. Hyvonen, C. Abell, Angew. Chem. 2011, 123, 4089-4092
- (2011) Angew. Chem. , vol.123 , pp. 4089-4092
- Śledź, P.¹ Stubbs, C.J.² Lang, S.³ Yang, Y.Q.⁴ McKenzie, G.J.⁵ Venkitaraman, A.R.⁶ Hyvonen, M.⁷ Abell, C.⁸

13
- 79954578345
- Angew. Chem. Int. Ed. 2011, 50, 4003-4006.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 4003-4006

14
- 84860388896
- F. Liu, J.-E. Park, W.-J. Qian, D. Lim, M. Graeber, T. Berg, M. B. Yaffe, K. S. Lee, T. R. Burke, Jr., Nat. Chem. Biol. 2011, 7, 595-601.
- (2011) Nat. Chem. Biol. , vol.7 , pp. 595-601
- Liu, F.¹ Park, J.-E.² Qian, W.-J.³ Lim, D.⁴ Graeber, M.⁵ Berg, T.⁶ Yaffe, M.B.⁷ Lee, K.S.⁸ Burke, Jr.T.R.⁹

15
- 84862109585
- F. Liu, J.-E. Park, W.-J. Qian, D. Lim, A. Scharow, T. Berg, M. B. Yaffe, K. S. Lee, T. R. Burke, Jr., ACS Chem. Biol. 2012, 7, 805-810.
- (2012) ACS Chem. Biol. , vol.7 , pp. 805-810
- Liu, F.¹ Park, J.-E.² Qian, W.-J.³ Lim, D.⁴ Scharow, A.⁵ Berg, T.⁶ Yaffe, M.B.⁷ Lee, K.S.⁸ Burke, Jr.T.R.⁹

16
- 84862329820
- F. Liu, J.-E. Park, W.-J. Qian, D. Lim, A. Scharow, T. Berg, M. B. Yaffe, K. S. Lee, T. R. Burke, Jr., ChemBioChem 2012, 13, 1291-1296.
- (2012) ChemBioChem , vol.13 , pp. 1291-1296
- Liu, F.¹ Park, J.-E.² Qian, W.-J.³ Lim, D.⁴ Scharow, A.⁵ Berg, T.⁶ Yaffe, M.B.⁷ Lee, K.S.⁸ Burke, Jr.T.R.⁹

17
- 84874413311
- P. Śled, S. Lang, C. J. Stubbs, C. Abell, Angew. Chem. 2012, 124, 7800-7803
- (2012) Angew. Chem. , vol.124 , pp. 7800-7803
- Śledź, P.¹ Lang, S.² Stubbs, C.J.³ Abell, C.⁴

18
- 84864400782
- Angew. Chem. Int. Ed. 2012, 51, 7680-7683.
- (2012) Angew. Chem. Int. Ed. , vol.51 , pp. 7680-7683

19
- 33748518255
- V. Hornak, R. Abel, A. Okur, B. Strockbine, A. Roitberg, C. Simmerling, Proteins Struct. Funct. Bioinf. 2006, 65, 712-725.
- (2006) Proteins Struct. Funct. Bioinf. , vol.65 , pp. 712-725
- Hornak, V.¹ Abel, R.² Okur, A.³ Strockbine, B.⁴ Roitberg, A.⁵ Simmerling, C.⁶

20
- 77953513118
- K. Lindorff-Larsen, S. Piana, K. Palmo, P. Maragakis, J. L. Klepeis, R. O. Dror, D. E. Shaw, Proteins Struct. Funct. Bioinf. 2010, 78, 1950-1958.
- (2010) Proteins Struct. Funct. Bioinf. , vol.78 , pp. 1950-1958
- Lindorff-Larsen, K.¹ Piana, S.² Palmo, K.³ Maragakis, P.⁴ Klepeis, J.L.⁵ Dror, R.O.⁶ Shaw, D.E.⁷

21
- 0037157153
- J. H. Lin, A. L. Perryman, J. R. Schames, J. A. McCammon, J. Am. Chem. Soc. 2002, 124, 5632-5633.
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 5632-5633
- Lin, J.H.¹ Perryman, A.L.² Schames, J.R.³ McCammon, J.A.⁴

22
- 1842607357
- J. R. Schames, R. H. Henchman, J. S. Siegel, C. A. Sotriffer, H. H. Ni, J. A. McCammon, J. Med. Chem. 2004, 47, 1879-1881.
- (2004) J. Med. Chem. , vol.47 , pp. 1879-1881
- Schames, J.R.¹ Henchman, R.H.² Siegel, J.S.³ Sotriffer, C.A.⁴ Ni, H.H.⁵ McCammon, J.A.⁶

23
- 46849105028
- L. S. Cheng, R. E. Amaro, D. Xu, W. W. Li, P. W. Arzberger, J. A. McCammon, J. Med. Chem. 2008, 51, 3878-3894.
- (2008) J. Med. Chem. , vol.51 , pp. 3878-3894
- Cheng, L.S.¹ Amaro, R.E.² Xu, D.³ Li, W.W.⁴ Arzberger, P.W.⁵ McCammon, J.A.⁶

24
- 0031910020
- L. S. D. Caves, J. D. Evanseck, M. Karplus, Protein Sci. 1998, 7, 649-666.
- (1998) Protein Sci. , vol.7 , pp. 649-666
- Caves, L.S.D.¹ Evanseck, J.D.² Karplus, M.³

25
- 0342929614
- G. M. Torrie, J. P. Valleau, J. Comput. Phys. 1977, 23, 187-199.
- (1977) J. Comput. Phys. , vol.23 , pp. 187-199
- Torrie, G.M.¹ Valleau, J.P.²

26
- 0025916872
- A. Miranker, M. Karplus, Proteins Struct. Funct. Genet. 1991, 11, 29-34.
- (1991) Proteins Struct. Funct. Genet. , vol.11 , pp. 29-34
- Miranker, A.¹ Karplus, M.²

27
- 0001616080
- Y. Sugita, Y. Okamoto, Chem. Phys. Lett. 1999, 314, 141-151.
- (1999) Chem. Phys. Lett. , vol.314 , pp. 141-151
- Sugita, Y.¹ Okamoto, Y.²

28
- 0036790894
- A. Laio, M. Parrinello, Proc. Natl. Acad. Sci. USA 2002, 99, 12562-12566.
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 12562-12566
- Laio, A.¹ Parrinello, M.²

29
- 65449159794
- J. Seco, F. J. Luque, X. Barril, J. Med. Chem. 2009, 52, 2363-2371.
- (2009) J. Med. Chem. , vol.52 , pp. 2363-2371
- Seco, J.¹ Luque, F.J.² Barril, X.³

30
- 68249132213
- e
- O. Guvench, A. D. MacKerell, Jr., PLoS Comp. Biol. 2009, 5, e 1000435.
- (2009) PLoS Comp. Biol. , vol.5 , pp. 1000435
- Guvench, O.¹ MacKerell, Jr.A.D.²

31
- 79955425362
- E. P. Raman, W. Yu, O. Guvench, A. D. MacKerell, Jr., J. Chem. Inf. Model. 2011, 51, 877-896.
- (2011) J. Chem. Inf. Model. , vol.51 , pp. 877-896
- Raman, E.P.¹ Yu, W.² Guvench, O.³ MacKerell, Jr.A.D.⁴

32
- 84863990355
- T. J. Foster, A. D. Mackerell, Jr., O. Guvench, J. Comput. Chem. 2012, 33, 1880-1891.
- (2012) J. Comput. Chem. , vol.33 , pp. 1880-1891
- Foster, T.J.¹ MacKerell, Jr.A.D.² Guvench, O.³

33
- 40549111613
- U. Haberthür, A. Caflisch, J. Comput. Chem. 2008, 29, 701-715.
- (2008) J. Comput. Chem. , vol.29 , pp. 701-715
- Haberthür, U.¹ Caflisch, A.²

34
- 77956400583
- V. Zoete, A. Grosdidier, M. Cuendet, O. Michielin, J. Mol. Recognit. 2010, 23, 457-461.
- (2010) J. Mol. Recognit. , vol.23 , pp. 457-461
- Zoete, V.¹ Grosdidier, A.² Cuendet, M.³ Michielin, O.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.