메뉴 건너뛰기




Volumn 24, Issue 8, 2016, Pages 1398-1409

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

Author keywords

[No Author keywords available]

Indexed keywords

SOLVENT; WATER; MOLECULAR LIBRARY;

EID: 84979966787     PISSN: 09692126     EISSN: 18784186     Source Type: Journal    
DOI: 10.1016/j.str.2016.06.010     Document Type: Article
Times cited : (66)

References (48)
  • 3
    • 84868093436 scopus 로고
    • A new least-squares refinement technique based on the fast Fourier transform algorithm
    • Agarwal, R., A new least-squares refinement technique based on the fast Fourier transform algorithm. Acta Crystallogr. A34 (1978), 791–809.
    • (1978) Acta Crystallogr. , vol.A34 , pp. 791-809
    • Agarwal, R.1
  • 4
    • 0001644632 scopus 로고
    • Between objectivity and subjectivity
    • Branden, C.-I., Jones, T.A., Between objectivity and subjectivity. Nature 343 (1990), 687–689.
    • (1990) Nature , vol.343 , pp. 687-689
    • Branden, C.-I.1    Jones, T.A.2
  • 5
    • 67649341990 scopus 로고    scopus 로고
    • From fragment to clinical candidate - a historical perspective
    • Chessari, G., Woodhead, A.J., From fragment to clinical candidate - a historical perspective. Drug Discov. Today 14 (2009), 668–675.
    • (2009) Drug Discov. Today , vol.14 , pp. 668-675
    • Chessari, G.1    Woodhead, A.J.2
  • 6
    • 77952546241 scopus 로고    scopus 로고
    • Drugging challenging targets using fragment-based approaches
    • Coyne, A.G., Scott, D.E., Abell, C., Drugging challenging targets using fragment-based approaches. Curr. Opin. Chem. Biol. 14 (2010), 299–307.
    • (2010) Curr. Opin. Chem. Biol. , vol.14 , pp. 299-307
    • Coyne, A.G.1    Scott, D.E.2    Abell, C.3
  • 7
    • 84858140219 scopus 로고    scopus 로고
    • Fragment screening using X-ray crystallography
    • Davies, T.G., Tickle, I.J., Fragment screening using X-ray crystallography. Top. Curr. Chem. 317 (2012), 33–59.
    • (2012) Top. Curr. Chem. , vol.317 , pp. 33-59
    • Davies, T.G.1    Tickle, I.J.2
  • 8
    • 0012383568 scopus 로고    scopus 로고
    • The PyMOL Molecular Graphics System on World Wide Web
    • Delano Scientific
    • DeLano, W.L., The PyMOL Molecular Graphics System on World Wide Web. 2002, Delano Scientific http://www.pymol.org.
    • (2002)
    • DeLano, W.L.1
  • 9
    • 84944353843 scopus 로고    scopus 로고
    • Models of protein-ligand crystal structures: trust, but verify
    • Deller, M.C., Rupp, B., Models of protein-ligand crystal structures: trust, but verify. J. Comput. Aided Mol. Des. 29 (2015), 817–836.
    • (2015) J. Comput. Aided Mol. Des. , vol.29 , pp. 817-836
    • Deller, M.C.1    Rupp, B.2
  • 12
  • 16
    • 79955613841 scopus 로고    scopus 로고
    • Molecular obesity, potency and other addictions in drug discovery
    • Hann, M.M., Molecular obesity, potency and other addictions in drug discovery. MedChemComm 2 (2011), 349–355.
    • (2011) MedChemComm , vol.2 , pp. 349-355
    • Hann, M.M.1
  • 17
    • 79952429629 scopus 로고    scopus 로고
    • Experiences in fragment-based lead discovery
    • Hubbard, R.E., Murray, J.B., Experiences in fragment-based lead discovery. Methods Enzymol. 493 (2011), 509–531.
    • (2011) Methods Enzymol. , vol.493 , pp. 509-531
    • Hubbard, R.E.1    Murray, J.B.2
  • 19
    • 84881315859 scopus 로고    scopus 로고
    • The 'rule of three' for fragment-based drug discovery: where are we now?
    • Jhoti, H., Williams, G., Rees, D.C., Murray, C.W., The 'rule of three' for fragment-based drug discovery: where are we now?. Nat. Rev. Drug Discov. 12 (2013), 644–645.
    • (2013) Nat. Rev. Drug Discov. , vol.12 , pp. 644-645
    • Jhoti, H.1    Williams, G.2    Rees, D.C.3    Murray, C.W.4
  • 23
    • 81555228214 scopus 로고    scopus 로고
    • A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes
    • Köster, H., Craan, T., Brass, S., Herhaus, C., Zentgraf, M., Neumann, L., Heine, A., Klebe, G., A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J. Med. Chem. 54 (2011), 7784–7796.
    • (2011) J. Med. Chem. , vol.54 , pp. 7784-7796
    • Köster, H.1    Craan, T.2    Brass, S.3    Herhaus, C.4    Zentgraf, M.5    Neumann, L.6    Heine, A.7    Klebe, G.8
  • 24
    • 13444307044 scopus 로고    scopus 로고
    • Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions
    • Krissinel, E., Henrick, K., Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions. Acta Crystallogr. D Biol. Crystallogr. 60 (2004), 2256–2268.
    • (2004) Acta Crystallogr. D Biol. Crystallogr. , vol.60 , pp. 2256-2268
    • Krissinel, E.1    Henrick, K.2
  • 30
    • 77955982439 scopus 로고    scopus 로고
    • Structural biology in fragment-based drug design
    • Murray, C.W., Blundell, T.L., Structural biology in fragment-based drug design. Curr. Opin. Struct. Biol. 20 (2010), 497–507.
    • (2010) Curr. Opin. Struct. Biol. , vol.20 , pp. 497-507
    • Murray, C.W.1    Blundell, T.L.2
  • 31
    • 67849113794 scopus 로고    scopus 로고
    • The rise of fragment-based drug discovery
    • Murray, C.W., Rees, D.C., The rise of fragment-based drug discovery. Nat. Chem. 1 (2009), 187–192.
    • (2009) Nat. Chem. , vol.1 , pp. 187-192
    • Murray, C.W.1    Rees, D.C.2
  • 34
    • 84941025550 scopus 로고    scopus 로고
    • Successful generation of structural information for fragment-based drug discovery
    • Oster, L., Tapani, S., Xue, Y., Kack, H., Successful generation of structural information for fragment-based drug discovery. Drug Discov. Today 20 (2015), 1104–1111.
    • (2015) Drug Discov. Today , vol.20 , pp. 1104-1111
    • Oster, L.1    Tapani, S.2    Xue, Y.3    Kack, H.4
  • 35
    • 0031059866 scopus 로고    scopus 로고
    • Processing of X-ray diffraction data collected in oscillation mode
    • Otwinowski, Z., Minor, W., Processing of X-ray diffraction data collected in oscillation mode. Methods Enzymol. 276 (1997), 307–326.
    • (1997) Methods Enzymol. , vol.276 , pp. 307-326
    • Otwinowski, Z.1    Minor, W.2
  • 36
    • 79951480123 scopus 로고    scopus 로고
    • R: A Language and Environment for Statistical Computing
    • R Foundation for Statistical Computing
    • R Development Core Team, R: A Language and Environment for Statistical Computing. 2010, R Foundation for Statistical Computing.
    • (2010)
    • R Development Core Team1
  • 38
    • 79959407930 scopus 로고    scopus 로고
    • How well can fragments explore accessed chemical space? A case study from heat shock protein 90
    • Roughley, S.D., Hubbard, R.E., How well can fragments explore accessed chemical space? A case study from heat shock protein 90. J. Med. Chem. 54 (2011), 3989–4005.
    • (2011) J. Med. Chem. , vol.54 , pp. 3989-4005
    • Roughley, S.D.1    Hubbard, R.E.2
  • 41
    • 84862869077 scopus 로고    scopus 로고
    • Fragment-based approaches in drug discovery and chemical biology
    • Scott, D.E., Coyne, A.G., Hudson, S.A., Abell, C., Fragment-based approaches in drug discovery and chemical biology. Biochemistry 51 (2012), 4990–5003.
    • (2012) Biochemistry , vol.51 , pp. 4990-5003
    • Scott, D.E.1    Coyne, A.G.2    Hudson, S.A.3    Abell, C.4
  • 42
    • 33644873274 scopus 로고    scopus 로고
    • Industrial perspective on X-ray data collection and analysis
    • Skarzynski, T., Thorpe, J., Industrial perspective on X-ray data collection and analysis. Acta Crystallogr. D Biol. Crystallogr. 62 (2006), 102–107.
    • (2006) Acta Crystallogr. D Biol. Crystallogr. , vol.62 , pp. 102-107
    • Skarzynski, T.1    Thorpe, J.2
  • 44
    • 0000496875 scopus 로고
    • Crystallographic fast Fourier transforms
    • Ten, L., Crystallographic fast Fourier transforms. Acta Crystallogr. A29 (1973), 183–191.
    • (1973) Acta Crystallogr. , vol.A29 , pp. 183-191
    • Ten, L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.