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Structure paper

TitleDiacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Journal, issue, pagesAcs Omega, Vol. 4, Page 5471-5478, Year 2019
Publish dateAug 10, 2018 (structure data deposition date)
AuthorsLindenblatt, D. / Nickelsen, A. / Applegate, V.M. / Hochscherf, J. / Witulski, B. / Bouaziz, Z. / Marminon, C. / Bretner, M. / Le Borgne, M. / Jose, J. / Niefind, K.
External linksAcs Omega / PubMed:31559376
MethodsX-ray diffraction
Resolution0.97 - 1.85 Å
Structure data

PDB-6hbn:
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-6hmb:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib)
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-6hmc:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-6hmd:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6hme:
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6hmq:
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Method: X-RAY DIFFRACTION / Resolution: 0.97 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-FXB:
5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-GDW:
5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

ChemComp-SO4:
SULFATE ION

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

ChemComp-4B0:
3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase CK2 / casein kinase 2 / catalytic subunit CK2alpha / CSNK2A1 / catalytic subunit CK2alpha' / CSNK2A2 / indeno[1 / 2-b]indole-type inhibitor / indenoindole-type inhibitor

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