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Structure paper

TitleSynthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Journal, issue, pagesEur. J. Med. Chem., Vol. 276, Page 116672-116672, Year 2024
Publish dateJul 18, 2023 (structure data deposition date)
AuthorsGreco, F.A. / Kramer, A. / Wahl, L. / Elson, L. / Ehret, T.A.L. / Gerninghaus, J. / Mockel, J. / Muller, S. / Hanke, T. / Knapp, S.
External linksEur. J. Med. Chem. / PubMed:39067440
MethodsX-ray diffraction
Resolution2 - 3.15 Å
Structure data

PDB-8pvo:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-8pvp:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-8rdk:
Crystal structure of human Haspin (GSG2) kinase bound to MD420
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-9epv:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9epw:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9epy:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-9epz:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-9eq0:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-9eq1:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-FW3:
2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FWU:
~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide

ChemComp-ZN:
Unknown entry

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM


ChemComp, No image

ChemComp-YQT:
Unknown entry

PDB-1h6h:
Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate

PDB-1h6f:
Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a palindromic DNA site

PDB-1h6g:
alpha-catenin M-domain

PDB-1h6i:
A REFINED STRUCTURE OF HUMAN AQUAPORIN 1

PDB-1h6d:
Oxidized Precursor Form of Glucose-Fructose Oxidoreductase from Zymomonas mobilis complexed with glycerol

PDB-1h6j:
The three-dimensional structure of capsule-specific CMP:2-keto-3-deoxy-manno-octonic acid synthetase from Escherichia coli

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / CK2 / Allosteric Inhibitor / Haspin / Inhibitor / Chemical

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