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Structure paper

TitleStructure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127533-127533, Year 2020
Publish dateAug 11, 2020 (structure data deposition date)
AuthorsHirst, D.J. / Brandt, M. / Bruton, G. / Christodoulou, E. / Cutler, L. / Deeks, N. / Goodacre, J.D. / Jack, T. / Lindon, M. / Miah, A. ...Hirst, D.J. / Brandt, M. / Bruton, G. / Christodoulou, E. / Cutler, L. / Deeks, N. / Goodacre, J.D. / Jack, T. / Lindon, M. / Miah, A. / Page, K. / Parr, N. / Shukla, L. / Sims, M. / Thomas, P. / Thorpe, J. / Holmes, D.S.
External linksBioorg. Med. Chem. Lett. / PubMed:32919012
MethodsX-ray diffraction
Resolution1.9 - 2.15 Å
Structure data

PDB-7a12:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-7a13:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-7a14:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-7a15:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7a16:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-QVK:
5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-QW5:
5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide

ChemComp-QVB:
5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide

ChemComp-QV5:
5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide

ChemComp-HZE:
5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / METHIONINE AMINOPEPTIDASE-2

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