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Structure paper

TitleThe P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Journal, issue, pagesNat. Chem. Biol., Vol. 6, Page 117-, Year 2010
Publish dateNov 9, 2009 (structure data deposition date)
AuthorsBerndt, A. / Miller, S. / Williams, O. / Lee, D.D. / Houseman, B.T. / Pacold, J.I. / Gorrec, F. / Hon, W.-C. / Liu, Y. / Rommel, C. ...Berndt, A. / Miller, S. / Williams, O. / Lee, D.D. / Houseman, B.T. / Pacold, J.I. / Gorrec, F. / Hon, W.-C. / Liu, Y. / Rommel, C. / Gaillard, P. / Ruckle, T. / Schwarz, M.K. / Shokat, K.M. / Shaw, J.P. / Williams, R.L.
External linksNat. Chem. Biol. / PubMed:20081827
MethodsX-ray diffraction
Resolution1.9 - 2.9 Å
Structure data

PDB-2wxf:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with PIK-39.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2wxg:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW13.
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-2wxh:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW14.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2wxi:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW30.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-2wxj:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2wxk:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK666.
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-2wxl:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with ZSTK474.
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-2wxm:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL06.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-2wxn:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL07.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2wxo:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS5.
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-2wxp:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with GDC-0941.
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2wxq:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS15.
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2wxr:
The crystal structure of the murine class IA PI 3-kinase p110delta.
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2x38:
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with IC87114.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-039:
2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE

ChemComp-HOH:
WATER

ChemComp-ZZN:
2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one

ChemComp-ZZO:
2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one

ChemComp-S30:
2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-RW3:
N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide

ChemComp-RW4:
3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChemComp-ZS4:
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole

ChemComp-ZZM:
1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE

ChemComp-DLN:
3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol

ChemComp-ZZP:
N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE

ChemComp-GD9:
2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine

ChemComp-ZZQ:
2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE

ChemComp-IC8:
2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / PHOSPHOPROTEIN / ISOFORM-SPECIFIC INHIBITORS / CANCER / NUCLEOTIDE-BINDING / PHOSPHOINOSITIDE 3-KINASE

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