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Structure paper

TitleCrystallographic Fragment Screening with CK2 alpha', an Isoform of Human Protein Kinase CK2 Catalytic Subunit, and Its Use to Obtain a CK2 alpha'/Heparin Complex Structure
Journal, issue, pagesKinases Phosphatases, Vol. 4, Page 1-, Year 2026
Publish dateJan 8, 2025 (structure data deposition date)
AuthorsWerner, C. / Barthel, T. / Harasimowicz, H. / Marminon, C. / Weiss, M.S. / Borgne, M.L. / Niefind, K.
External linksKinases Phosphatases / Search PubMed
MethodsX-ray diffraction
Resolution0.89 - 2.2 Å
Structure data

PDB-9hxu:
Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment C02
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9hyh:
Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment D02 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-9ihg:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment C02
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-9ihi:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D02
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-9q8c:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment F02
Method: X-RAY DIFFRACTION / Resolution: 0.9 Å

PDB-9q8q:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment E03
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-9q9a:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment C06 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-9q9b:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment C07 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-9q9c:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D04
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-9q9d:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D06 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 0.89 Å

PDB-9q9g:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D10
Method: X-RAY DIFFRACTION / Resolution: 0.94 Å

PDB-9qab:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment E11 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-9qag:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment F08 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-9qak:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment G07
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-9qb0:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment H07
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-9qb6:
Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment H02 and CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

Chemicals

ChemComp-SYA:
2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SY4:
~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide

ChemComp-3NG:
5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid

ChemComp-T9Y:
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

PDB-1i4n:
CRYSTAL STRUCTURE OF INDOLEGLYCEROL PHOSPHATE SYNTHASE FROM THERMOTOGA MARITIMA

PDB-1i4v:
SOLUTION STRUCTURE OF THE UMUD' HOMODIMER


ChemComp, No image

ChemComp-VN9:
Unknown entry


ChemComp, No image

ChemComp-R9D:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-R9G:
(3-methoxyphenyl)(pyrrolidin-1-yl)methanone

ChemComp-R9J:
2-methyl-N-(4-methylphenyl)-L-alanine

ChemComp-RA7:
[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol

ChemComp-RBJ:
4-[(methylamino)methyl]phenol

PDB-1i5i:
THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN


ChemComp, No image

ChemComp-U8X:
Unknown entry

ChemComp-RDV:
3-cyclopentyl-1-(piperazin-1-yl)propan-1-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein kinase CK2 / kinase / fragment-based screening / ligand / casein kinase II / CK2 / protein kinase

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