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Structure paper

TitleDiscovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Journal, issue, pagesKinases Phosphatases, Year 2023
Publish dateAug 15, 2023 (structure data deposition date)
AuthorsWerner, C. / Lindenblatt, D. / Viht, K. / Uri, A. / Niefind, K.
External linksKinases Phosphatases / Search PubMed
MethodsX-ray diffraction
Resolution1.03 - 1.352 Å
Structure data

PDB-8q77:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780
Method: X-RAY DIFFRACTION / Resolution: 1.255 Å

PDB-8q9s:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1
Method: X-RAY DIFFRACTION / Resolution: 1.352 Å

PDB-8qbu:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA)
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-8qcd:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-8qcg:
STRUCTURE OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE CK2 (CK2ALPHA') IN COMPLEX WITH THE NON-HYDROLYZABLE ATP ANALOGUE AMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-8qf1:
STRUCTURE OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE CK2 (CK2ALPHA') IN COMPLEX WITH THE NON-HYDROLYZABLE GTP ANALOGUE GMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

Chemicals

ChemComp-LN3:
(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-QBE:
~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide

ChemComp-42J:
2-(3,4-dichlorophenyl)ethanamine

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

ChemComp-TBS:
4,5,6,7-TETRABROMOBENZOTRIAZOLE

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-GNP:
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase CK2 casein kinase 2 bisubstrate inhibitor N-terminal segment ligand binding site / protein kinase CK2 casein kinase 2 inhibitor SGC-CK2-1 / protein kinase CK2 casein kinase 2 inhibitor TBB

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