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	PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
Journal, issue, pages	To Be Published
Publish date	Mar 12, 2019 (structure data deposition date)
Authors	Petrick, J.K. / Muenzker, L. / von Delft, F. / Jahnke, W.
External links	Search PubMed
Methods	X-ray diffraction
Resolution	1.41 - 2.2 Å
Structure data	PDB-5qpd: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000293a Method: X-RAY DIFFRACTION / Resolution: 1.93 Å PDB-5qpe: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000295a Method: X-RAY DIFFRACTION / Resolution: 1.77 Å PDB-5qpf: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000478a Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-5qpg: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a Method: X-RAY DIFFRACTION / Resolution: 1.58 Å PDB-5qph: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000315a Method: X-RAY DIFFRACTION / Resolution: 1.86 Å PDB-5qpi: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000554a Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-5qpj: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000465a Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-5qpk: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-5qpl: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-5qpm: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000500a Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-5qpn: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000576a Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-5qpo: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000574a Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-5qpp: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000512a Method: X-RAY DIFFRACTION / Resolution: 1.48 Å PDB-5qpq: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a Method: X-RAY DIFFRACTION / Resolution: 1.49 Å PDB-5qpr: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-5qps: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000644a Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-5qpt: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000642a Method: X-RAY DIFFRACTION / Resolution: 1.46 Å PDB-5qpu: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000733a Method: X-RAY DIFFRACTION / Resolution: 1.44 Å PDB-5qpv: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-5qpw: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000632a Method: X-RAY DIFFRACTION / Resolution: 1.72 Å PDB-5qpx: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-5qpy: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000449a Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-5qpz: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000524a Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-5qq0: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00000046b Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-5qq1: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a Method: X-RAY DIFFRACTION / Resolution: 1.97 Å PDB-5qq2: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000693a Method: X-RAY DIFFRACTION / Resolution: 1.73 Å PDB-5qq3: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-5qq4: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000276a Method: X-RAY DIFFRACTION / Resolution: 1.58 Å PDB-5qq5: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with PKTTA024495b Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-5qq6: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a Method: X-RAY DIFFRACTION / Resolution: 1.94 Å PDB-5qq7: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000562a Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-5qq8: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-5qq9: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-5qqa: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000648a Method: X-RAY DIFFRACTION / Resolution: 2.2 Å PDB-5qqb: PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a Method: X-RAY DIFFRACTION / Resolution: 1.58 Å
Chemicals	ChemComp-SO4: SULFATE ION / Sulfate ChemComp-ACT: ACETATE ION / Acetate ChemComp-ZN: Unknown entry ChemComp-LT7: ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine ChemComp-HOH: WATER / Water ChemComp-AWG: ~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine ChemComp-AWM: 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole ChemComp-AWV: 3-(azepan-1-ylmethyl)-1~{H}-indole ChemComp-LUS: 4-(4-ethylcyclohexyl)morpholine ChemComp-GQM: 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol ChemComp-JGJ: 2-methoxy-N-[(1R)-1-phenylethyl]acetamide ChemComp-LUY: ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine ChemComp-M0J: N-[(2S)-2-hydroxypropyl]-N'-phenylurea ChemComp-LV1: 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea ChemComp-LDV: 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole ChemComp-GQP: 1-[(4-fluorophenyl)methyl]benzimidazole ChemComp-LV4: 1-[2-(trifluoromethyloxy)phenyl]thiourea ChemComp-LV7: ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide ChemComp-LVD: 1-phenylmethoxyurea ChemComp-LVP: ~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide ChemComp-LVV: 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide ChemComp-JHS: N-[(4-phenyloxan-4-yl)methyl]acetamide ChemComp-LWA: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide ChemComp-JH7: 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one ChemComp-LWD: ~{N}-quinolin-6-ylbenzamide ChemComp-JH1: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide ChemComp-AYV: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea ChemComp-LWV: 2-morpholin-4-ylaniline ChemComp-LX4: 4-cyclopentylcarbonylpiperazin-2-one ChemComp-MJ4: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol ChemComp-LXA: ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide ChemComp-LX7: 1-[4-(trifluoromethyloxy)phenyl]thiourea ChemComp-JJM: 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-LXJ: (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one ChemComp-LXM: [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone ChemComp-LXS: 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione ChemComp-M0D: 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide ChemComp-LZV: ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate ChemComp-LZY: 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
Source	trypanosoma cruzi (eukaryote)
Keywords	TRANSFERASE / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer