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Structure paper

TitleLeveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
Journal, issue, pagesJ Struct Funct Genomics, Vol. 12, Page 63-76, Year 2011
Publish dateOct 24, 2008 (structure data deposition date)
AuthorsBegley, D.W. / Hartley, R.C. / Davies, D.R. / Edwards, T.E. / Leonard, J.T. / Abendroth, J. / Burris, C.A. / Bhandari, J. / Myler, P.J. / Staker, B.L. / Stewart, L.J.
External linksJ Struct Funct Genomics / PubMed:21359640
MethodsX-ray diffraction
Resolution1.2 - 2.3 Å
Structure data

PDB-3f0d:
High resolution crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphatase synthase from Burkholderia pseudomallei
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-3f0e:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3f0g:
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-3ieq:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3iew:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3ike:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3ikf:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-3jvh:
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-3k14:
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3k2x:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with 5'-iodo-cytosine
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3mbm:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3p0z:
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL955, 4-(1H-imidazol)-1-yl)phenol
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3p10:
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL694, 2-(thiophen-2-yl)phenyl methanol
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3qhd:
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-MG:
Unknown entry

ChemComp-C5P:
CYTIDINE-5'-MONOPHOSPHATE / Cytidine monophosphate

ChemComp-C:
CYTIDINE-5'-MONOPHOSPHATE / Cytidine monophosphate

ChemComp-CL:
Unknown entry / Chloride

ChemComp-CDP:
CYTIDINE-5'-DIPHOSPHATE / Cytidine diphosphate

ChemComp-CTP:
CYTIDINE-5'-TRIPHOSPHATE / Cytidine triphosphate

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-CYT:
6-AMINOPYRIMIDIN-2(1H)-ONE / Cytosine

ChemComp-717:
imidazo[2,1-b][1,3]thiazol-6-ylmethanol

ChemComp-ACT:
ACETATE ION / Acetate

ChemComp-K:
Unknown entry

ChemComp-HHV:
5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide

ChemComp-535:
ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate

ChemComp-I5A:
5'-deoxy-5'-iodocytidine

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM / Tris

ChemComp-MSR:
4-(1H-IMIDAZOL-1-YL)PHENOL

ChemComp-CTN:
4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE / Cytidine

ChemComp-F69:
(2-thiophen-2-ylphenyl)methanol

ChemComp-795:
2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde

Source
  • burkholderia pseudomallei (bacteria)
KeywordsLYASE / SSGCID / NIAID / Burkholderia pseudomallei / Isoprene biosynthesis / Metal-binding / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / IspF / fragment / fragment-based drug design / FBDD / Seattle Dtructural Genomics Center for Infectious Disease / fragment crystallography / Fragments of Life / zinc-binding fragment / Fragment-based drug-design / cytosine / MEP pathway / cytidine / FOL955 / MSR / FOL694 / F69 / FOL795

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