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Structure paper

TitleExploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Journal, issue, pagesChem Sci, Vol. 6, Page 6147-6157, Year 2015
Publish dateJul 20, 2015 (structure data deposition date)
AuthorsSigurdardottir, A.G. / Winter, A. / Sobkowicz, A. / Fragai, M. / Chirgadze, D. / Ascher, D.B. / Blundell, T.L. / Gherardi, E.
External linksChem Sci / PubMed:30090230
MethodsX-ray diffraction
Resolution1.9 - 2.5 Å
Structure data

PDB-5coe:
The structure of the NK1 fragment of HGF/SF complexed with HEPES
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-5cp9:
The structure of the NK1 fragment of HGF/SF complexed with MB605
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5cs1:
The structure of the NK1 fragment of HGF/SF
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5cs3:
The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5cs5:
The structure of the NK1 fragment of HGF/SF complexed with PIPES
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5cs9:
The structure of the NK1 fragment of HGF/SF complexed with MES
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5csq:
The structure of the NK1 fragment of HGF/SF complexed with MOPS
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5ct1:
The structure of the NK1 fragment of HGF/SF complexed with CHES
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5ct2:
The structure of the NK1 fragment of HGF/SF complexed with CAPS
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5ct3:
The structure of the NK1 fragment of HGF/SF complexed with 2FA
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM / HEPES

ChemComp-HOH:
WATER / Water

ChemComp-6O5:
3-(furan-2-yl)propanoic acid

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-EP1:
3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID / pH buffer*YM / HEPPS (buffer)

ChemComp-PIN:
PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) / pH buffer*YM / PIPES

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM / MES (buffer)

ChemComp-MPO:
3[N-MORPHOLINO]PROPANE SULFONIC ACID / pH buffer*YM / MOPS

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM / CHES (buffer)

ChemComp-CXS:
3-CYCLOHEXYL-1-PROPYLSULFONIC ACID / pH buffer*YM / CAPS (buffer)

ChemComp-54O:
3-hydroxypropane-1-sulfonic acid

Source
  • homo sapiens (human)
KeywordsHORMONE / HGF/SF / fragment based discovery / growth factor / NK1 fragment / cell cycle / fragment based drug discovery / new chemical entity

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