Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Journal, issue, pages	Eur. J. Med. Chem., Vol. 110, Page 43-64, Year 2016
Publish date	May 19, 2015 (structure data deposition date)
Authors	Drinkwater, N. / Vinh, N.B. / Mistry, S.N. / Bamert, R.S. / Ruggeri, C. / Holleran, J.P. / Loganathan, S. / Paiardini, A. / Charman, S.A. / Powell, A.K. ...Drinkwater, N. / Vinh, N.B. / Mistry, S.N. / Bamert, R.S. / Ruggeri, C. / Holleran, J.P. / Loganathan, S. / Paiardini, A. / Charman, S.A. / Powell, A.K. / Avery, V.M. / McGowan, S. / Scammells, P.J.
External links	Eur. J. Med. Chem. / PubMed:26807544
Methods	X-ray diffraction
Resolution	1.8 - 2.7 Å
Structure data	PDB-4zw3: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-4zw5: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-4zw6: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-4zw7: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m Method: X-RAY DIFFRACTION / Resolution: 1.95 Å PDB-4zw8: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-4zx3: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-4zx4: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-4zx5: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q Method: X-RAY DIFFRACTION / Resolution: 1.95 Å PDB-4zx6: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s Method: X-RAY DIFFRACTION / Resolution: 2.05 Å PDB-4zx8: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b Method: X-RAY DIFFRACTION / Resolution: 2.7 Å PDB-4zx9: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b Method: X-RAY DIFFRACTION / Resolution: 2.6 Å PDB-4zy0: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q Method: X-RAY DIFFRACTION / Resolution: 2.2 Å PDB-4zy1: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r Method: X-RAY DIFFRACTION / Resolution: 2.5 Å PDB-4zy2: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o Method: X-RAY DIFFRACTION / Resolution: 2.1 Å PDB-4zyq: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s Method: X-RAY DIFFRACTION / Resolution: 2.6 Å
Chemicals	ChemComp-4S9: tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate ChemComp-ZN: Unknown entry ChemComp-GOL: GLYCEROL ChemComp-MG: Unknown entry ChemComp-PO4: PHOSPHATE ION ChemComp-HOH: WATER ChemComp-4SA: tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate ChemComp-4SY: tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-4SZ: tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate ChemComp-4T2: tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate ChemComp-4TK: N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide ChemComp-4TL: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide ChemComp-4TM: N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide ChemComp-4U6: N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide ChemComp-4TY: tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate ChemComp-CO3: CARBONATE ION ChemComp-1PE: PENTAETHYLENE GLYCOL / precipitantYM ChemComp-SO4: SULFATE ION ChemComp-4U5: N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
Source	plasmodium falciparum (isolate fcb1 / columbia) (eukaryote) plasmodium falciparum (malaria parasite P. falciparum) plasmodium falciparum fcb1/columbia (eukaryote)
Keywords	HYDROLASE/HYDROLASE inhibitor / M1 ALANYL-AMINOPEPTIDASE / PROTEASE / INHIBITOR / HYDROXAMIC ACID / HYDROLASE-HYDROLASE inhibitor complex / M17 LEUCYL-AMINOPEPTIDASE