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	Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
Journal, issue, pages	J Biomol Screen, Vol. 19, Page 497-507, Year 2014
Publish date	Jul 8, 2013 (structure data deposition date)
Authors	Recht, M.I. / Sridhar, V. / Badger, J. / Bounaud, P.Y. / Logan, C. / Chie-Leon, B. / Nienaber, V. / Torres, F.E.
External links	J Biomol Screen / PubMed:24375910
Methods	X-ray diffraction
Resolution	1.48 - 2.81 Å
Structure data	PDB-4lkq: Crystal structure of PDE10A2 with fragment ZT017 Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-4llj: Crystal structure of PDE10A2 with fragment ZT214 Method: X-RAY DIFFRACTION / Resolution: 1.56 Å PDB-4llk: Crystal structure of PDE10A2 with fragment ZT217 Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-4llp: Crystal structure of PDE10A2 with fragment ZT401 Method: X-RAY DIFFRACTION / Resolution: 1.75 Å PDB-4llx: Crystal structure of PDE10A2 with fragment ZT434 Method: X-RAY DIFFRACTION / Resolution: 1.75 Å PDB-4lm0: Crystal structure of PDE10A2 with fragment ZT448 Method: X-RAY DIFFRACTION / Resolution: 1.66 Å PDB-4lm1: Crystal structure of PDE10A2 with fragment ZT450 Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-4lm2: Crystal structure of PDE10A2 with fragment ZT462 Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-4lm3: Crystal structure of PDE10A2 with fragment ZT464 Method: X-RAY DIFFRACTION / Resolution: 1.49 Å PDB-4lm4: Crystal structure of PDE10A2 with fragment ZT902 Method: X-RAY DIFFRACTION / Resolution: 1.48 Å PDB-4mrw: Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol) Method: X-RAY DIFFRACTION / Resolution: 1.96 Å PDB-4mrz: Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine) Method: X-RAY DIFFRACTION / Resolution: 1.58 Å PDB-4ms0: Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) Method: X-RAY DIFFRACTION / Resolution: 1.79 Å PDB-4msa: Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-4msc: Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) Method: X-RAY DIFFRACTION / Resolution: 2.47 Å PDB-4mse: Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline) Method: X-RAY DIFFRACTION / Resolution: 2.81 Å PDB-4msh: Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine) Method: X-RAY DIFFRACTION / Resolution: 2.3 Å PDB-4msn: Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) Method: X-RAY DIFFRACTION / Resolution: 2.3 Å
Chemicals	ChemComp-1XM: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione ChemComp-NI: NICKEL (II) ION / Nickel ChemComp-HOH: WATER / Water ChemComp-1XN: 2H-isoindole-1,3-diamine ChemComp-MEW: 2-methylquinazolin-4(3H)-one ChemComp-4ZE: 4-amino-2-methylphenol ChemComp-5ZE: 4,6-dimethylpyrimidin-2-amine ChemComp-5NI: 5-NITROINDAZOLE / inhibitorYM / 7-Nitroindazole ChemComp-7ZE: 5-nitroquinoline / Quinoline ChemComp-8ZE: 2,3-dihydro-1,4-benzodioxin-6-ylmethanol ChemComp-9ZE: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone ChemComp-EDO: 1,2-ETHANEDIOL / Ethylene glycol ChemComp-JPZ: quinazolin-4(1H)-one ChemComp-MRW: 7-chloroquinolin-4-ol ChemComp-2ZV: 4-methyl-3-nitropyridin-2-amine ChemComp-2ZX: 6-chloropyrimidine-2,4-diamine ChemComp-2ZM: 5-nitro-1H-benzimidazole ChemComp-2ZT: 2-[(quinolin-7-yloxy)methyl]quinoline ChemComp-2ZU: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline ChemComp-2D0: 4-chloro-1,3-benzothiazol-2-amine ChemComp-2ZQ*: 8-nitroquinoline / Quinoline
Source	homo sapiens (human)
Keywords	HYDROLASE/HYDROLASE INHIBITOR / fragment screening / hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex