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	FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Journal, issue, pages	Acta Crystallogr D Struct Biol, Vol. 77, Page 799-808, Year 2021
Publish date	Sep 23, 2020 (structure data deposition date)
Authors	Lima, G.M.A. / Jagudin, E. / Talibov, V.O. / Benz, L.S. / Marullo, C. / Barthel, T. / Wollenhaupt, J. / Weiss, M.S. / Mueller, U.
External links	Acta Crystallogr D Struct Biol / PubMed:34076593
Methods	X-ray diffraction
Resolution	1.02 - 1.98 Å
Structure data	PDB-5roc: PanDDA analysis group deposition -- Proteinase K crystal structure Apo65 Method: X-RAY DIFFRACTION / Resolution: 1.523 Å PDB-5rod: PanDDA analysis group deposition -- Proteinase K crystal structure Apo71 Method: X-RAY DIFFRACTION / Resolution: 1.04 Å PDB-5roe: PanDDA analysis group deposition -- Proteinase K crystal structure Apo6 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-5rof: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a Method: X-RAY DIFFRACTION / Resolution: 1.08 Å PDB-5rog: PanDDA analysis group deposition -- Proteinase K crystal structure Apo51 Method: X-RAY DIFFRACTION / Resolution: 1.08 Å PDB-5roh: PanDDA analysis group deposition -- Proteinase K crystal structure Apo61 Method: X-RAY DIFFRACTION / Resolution: 1.04 Å PDB-5roi: PanDDA analysis group deposition -- Proteinase K crystal structure Apo30 Method: X-RAY DIFFRACTION / Resolution: 1.05 Å PDB-5roj: PanDDA analysis group deposition -- Proteinase K crystal structure Apo59 Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5rok: PanDDA analysis group deposition -- Proteinase K crystal structure Apo37 Method: X-RAY DIFFRACTION / Resolution: 1.04 Å PDB-5rol: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B5a Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-5rom: PanDDA analysis group deposition -- Proteinase K crystal structure Apo45 Method: X-RAY DIFFRACTION / Resolution: 1.07 Å PDB-5ron: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E4a Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-5roo: PanDDA analysis group deposition -- Proteinase K crystal structure Apo73 Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-5rop: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature Method: X-RAY DIFFRACTION / Resolution: 1.64 Å PDB-5roq: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5ror: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-5ros: PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-5rot: PanDDA analysis group deposition -- Proteinase K crystal structure Apo1 Method: X-RAY DIFFRACTION / Resolution: 1.05 Å PDB-5rou: PanDDA analysis group deposition -- Proteinase K crystal structure Apo72 Method: X-RAY DIFFRACTION / Resolution: 1.06 Å PDB-5rov: PanDDA analysis group deposition -- Proteinase K crystal structure Apo62 Method: X-RAY DIFFRACTION / Resolution: 1.04 Å PDB-5row: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F6a Method: X-RAY DIFFRACTION / Resolution: 1.21 Å PDB-5rox: PanDDA analysis group deposition -- Proteinase K crystal structure Apo24 Method: X-RAY DIFFRACTION / Resolution: 1.12 Å PDB-5roy: PanDDA analysis group deposition -- Proteinase K crystal structure Apo22 Method: X-RAY DIFFRACTION / Resolution: 1.05 Å PDB-5roz: PanDDA analysis group deposition -- Proteinase K crystal structure Apo41 Method: X-RAY DIFFRACTION / Resolution: 1.14 Å PDB-5rp0: PanDDA analysis group deposition -- Proteinase K crystal structure Apo57 Method: X-RAY DIFFRACTION / Resolution: 1.03 Å PDB-5rp1: PanDDA analysis group deposition -- Proteinase K crystal structure Apo36 Method: X-RAY DIFFRACTION / Resolution: 1.11 Å PDB-5rp2: PanDDA analysis group deposition -- Proteinase K crystal structure Apo20 Method: X-RAY DIFFRACTION / Resolution: 1.1 Å PDB-5rp3: PanDDA analysis group deposition -- Proteinase K crystal structure Apo14 Method: X-RAY DIFFRACTION / Resolution: 1.09 Å PDB-5rp4: PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 Method: X-RAY DIFFRACTION / Resolution: 1.05 Å PDB-5rp5: PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 Method: X-RAY DIFFRACTION / Resolution: 1.09 Å PDB-5rp6: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a Method: X-RAY DIFFRACTION / Resolution: 1.17 Å PDB-5rp7: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen D12a Method: X-RAY DIFFRACTION / Resolution: 1.15 Å PDB-5rp8: PanDDA analysis group deposition -- Proteinase K crystal structure Apo46 Method: X-RAY DIFFRACTION / Resolution: 1.03 Å PDB-5rp9: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B7a Method: X-RAY DIFFRACTION / Resolution: 1.48 Å PDB-5rpa: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E3a Method: X-RAY DIFFRACTION / Resolution: 1.25 Å PDB-5rpb: PanDDA analysis group deposition -- Proteinase K crystal structure Apo68 Method: X-RAY DIFFRACTION / Resolution: 1.64 Å PDB-5rpc: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H3a Method: X-RAY DIFFRACTION / Resolution: 1.23 Å PDB-5rpd: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F12a Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5rpe: PanDDA analysis group deposition -- Proteinase K crystal structure Apo40 Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5rpf: PanDDA analysis group deposition -- Proteinase K crystal structure Apo27 Method: X-RAY DIFFRACTION / Resolution: 1.39 Å PDB-5rpg: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-5rph: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A11a Method: X-RAY DIFFRACTION / Resolution: 1.38 Å PDB-5rpi: PanDDA analysis group deposition -- Proteinase K crystal structure Apo26 Method: X-RAY DIFFRACTION / Resolution: 1.03 Å PDB-5rpj: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a Method: X-RAY DIFFRACTION / Resolution: 1.27 Å PDB-5rpk: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B9a Method: X-RAY DIFFRACTION / Resolution: 1.78 Å PDB-5rpl: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a Method: X-RAY DIFFRACTION / Resolution: 1.09 Å PDB-5rpm: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H5a Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-5rpn: PanDDA analysis group deposition -- Proteinase K crystal structure Apo64 Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5rpo: PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-5rpp: PanDDA analysis group deposition -- Proteinase K crystal structure Apo44 Method: X-RAY DIFFRACTION / Resolution: 1.08 Å PDB-5rpq: PanDDA analysis group deposition -- Proteinase K crystal structure Apo32 Method: X-RAY DIFFRACTION / Resolution: 1.07 Å PDB-5rpr: PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-5rps: PanDDA analysis group deposition -- Proteinase K crystal structure Apo60 Method: X-RAY DIFFRACTION / Resolution: 1.04 Å PDB-5rpt: PanDDA analysis group deposition -- Proteinase K crystal structure Apo9 Method: X-RAY DIFFRACTION / Resolution: 1.98 Å PDB-5rpu: PanDDA analysis group deposition -- Proteinase K crystal structure Apo67 Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-5rpv: PanDDA analysis group deposition -- Proteinase K crystal structure Apo35 Method: X-RAY DIFFRACTION / Resolution: 1.1 Å PDB-5rpw: PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 Method: X-RAY DIFFRACTION / Resolution: 1.02 Å PDB-5rpx: PanDDA analysis group deposition -- Proteinase K crystal structure Apo43 Method: X-RAY DIFFRACTION / Resolution: 1.05 Å PDB-5rpy: PanDDA analysis group deposition -- Proteinase K crystal structure Apo10 Method: X-RAY DIFFRACTION / Resolution: 1.09 Å PDB-5rpz: PanDDA analysis group deposition -- Proteinase K crystal structure Apo58 Method: X-RAY DIFFRACTION / Resolution: 1.22 Å
Chemicals	ChemComp-SO4: SULFATE ION / Sulfate ChemComp-HOH: WATER / Water ChemComp-4AQ: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine ChemComp-47S: 3-(dimethylamino)benzohydrazide ChemComp-483: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide ChemComp-47E: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid ChemComp-NCA: NICOTINAMIDE / medicationYM / Nicotinamide ChemComp-CLW: CHLORZOXAZONE / Chlorzoxazone ChemComp-46P: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine ChemComp-F91: N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine ChemComp-YEY: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole ChemComp-47Y: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine ChemComp-W9J: N-carbamoyl-L-methionine ChemComp-GGB: L-CANAVANINE / Canavanine ChemComp-AMH: TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID / medicationYM / Tranexamic acid ChemComp-L2K: 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine ChemComp-479: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide ChemComp-MRZ: piperidine-1-carboximidamide ChemComp-8G2: (4-methoxycarbonylphenyl)methylazanium ChemComp-HBD: 4-HYDROXYBENZAMIDE
Source	parengyodontium album (fungus)
Keywords	HYDROLASE / FragMAX / FragMAXapp / fragment screening / inhibition