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1SZC
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STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TRANSFER BY NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES
Descriptor:NAD-dependent deacetylase HST2, Histone H4 peptide, ZINC ION, ...
Authors:Zhao, K., Harshaw, R., Chai, X., Marmorstein, R.
Deposit date:2004-04-05
Release date:2004-06-15
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SZD
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STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TRANSFER BY NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES
Descriptor:NAD-dependent deacetylase HST2, Histone H4 peptide, CHLORIDE ION, ...
Authors:Zhao, K., Harshaw, R., Chai, X., Marmorstein, R.
Deposit date:2004-04-05
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q17
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STRUCTURE OF THE YEAST HST2 PROTEIN DEACETYLASE IN TERNARY COMPLEX WITH 2'-O-ACETYL ADP RIBOSE AND HISTONE PEPTIDE
Descriptor:HST2 protein, ZINC ION, CHLORIDE ION, ...
Authors:Zhao, K., Chai, X., Marmorstein, R.
Deposit date:2003-07-18
Release date:2003-11-18
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Yeast Hst2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl ADP Ribose and Histone Peptide.
Structure, 11, 2003
1Q1A
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STRUCTURE OF THE YEAST HST2 PROTEIN DEACETYLASE IN TERNARY COMPLEX WITH 2'-O-ACETYL ADP RIBOSE AND HISTONE PEPTIDE
Descriptor:HST2 protein, Histone H4, ZINC ION, ...
Authors:Zhao, K., Chai, X., Marmorstein, R.
Deposit date:2003-07-18
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-Acetyl ADP ribose and histone peptide.
Structure, 11, 2003
1HU8
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CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DNA-BINDING DOMAIN AT 2.7A RESOLUTION
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Zhao, K., Chai, X., Johnston, K., Clements, A., Marmorstein, R.
Deposit date:2001-01-04
Release date:2001-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the mouse p53 core DNA-binding domain at 2.7 A resolution.
J.Biol.Chem., 276, 2001
1MX2
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STRUCTURE OF F71N MUTANT OF P18INK4C
Descriptor:Cyclin-dependent kinase 6 inhibitor
Authors:Marmorstein, R., Venkataramani, R.N., MacLachlan, T.K., Chai, X., El-Deiery, W.S.
Deposit date:2002-10-01
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design of p18INK4c proteins with increased thermodynamic stability and cell cycle inhibitory activity
J.Biol.Chem., 277, 2002
1MX4
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STRUCTURE OF P18INK4C (F82Q)
Descriptor:Cyclin-dependent kinase 6 inhibitor
Authors:Marmorstein, R., Venkataramani, R.N., MacLachlan, T.K., Chai, X., El-Deiry, W.S.
Deposit date:2002-10-01
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of p18INK4c proteins with increased thermodynamic stability and cell cycle inhibitory activity
J.Biol.Chem., 277, 2002
1MX6
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STRUCTURE OF P18INK4C (F92N)
Descriptor:Cyclin-dependent kinase 6 inhibitor
Authors:Marmorstein, R., Venkataramani, R.N., MacLachlan, T.K., Chai, X., El-Deiry, W.S.
Deposit date:2002-10-01
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of p18INK4c proteins with increased thermodynamic stability and cell cycle inhibitory activity
J.Biol.Chem., 277, 2002
1NFH
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STRUCTURE OF A SIR2 SUBSTRATE, ALBA, REVEALS A MECHANISM FOR DEACTYLATION-INDUCED ENHANCEMENT OF DNA-BINDING
Descriptor:conserved hypothetical protein AF1956
Authors:Zhao, K., Chai, X., Marmorstein, R.
Deposit date:2002-12-15
Release date:2003-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of a Sir2 substrate, Alba, reveals a mechanism for deacetylation-induced enhancement of DNA-binding
J.Biol.Chem., 278, 2003
1NFJ
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STRUCTURE OF A SIR2 SUBSTRATE, ALBA, REVEALS A MECHANISM FOR DEACTYLATION-INDUCED ENHANCEMENT OF DNA-BINDING
Descriptor:conserved hypothetical protein AF1956
Authors:Zhao, K., Chai, X., Marmorstein, R.
Deposit date:2002-12-15
Release date:2003-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a Sir2 substrate, alba, reveals a mechanism for deacetylation-induced enhancement of DNA-binding
J.Biol.Chem., 278, 2003
1Q14
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STRUCTURE AND AUTOREGULATION OF THE YEAST HST2 HOMOLOG OF SIR2
Descriptor:HST2 protein, ZINC ION, CHLORIDE ION
Authors:Zhao, K., Chai, X., Clements, A., Marmorstein, R.
Deposit date:2003-07-18
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and autoregulation of the Yeast Hst2 homolog of Sir2
Nat.Struct.Biol., 10, 2003
1S5P
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STRUCTURE AND SUBSTRATE BINDING PROPERTIES OF COBB, A SIR2 HOMOLOG PROTEIN DEACETYLASE FROM ESCHERICIA COLI.
Descriptor:NAD-dependent deacetylase, HISTONE H4 (RESIDUES 12-19), ZINC ION
Authors:Zhao, K., Chai, X., Marmorstein, R.
Deposit date:2004-01-21
Release date:2004-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure and Substrate Binding Properties of cobB, a Sir2 Homolog Protein Deacetylase from Eschericia coli.
J.Mol.Biol., 337, 2004
2IOI
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CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DOMAIN AT 1.55 A
Descriptor:Cellular tumor antigen p53, ZINC ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOM
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MOUSE P53 CORE DOMAIN SOAKED WITH 2-PROPANOL
Descriptor:Cellular tumor antigen p53, ZINC ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2IOO
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CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DOMAIN
Descriptor:Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C., Luo, C., Zhao, K., Chai, X., Fitzgerald, M.X., Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
1ZYJ
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HUMAN P38 MAP KINASE IN COMPLEX WITH INHIBITOR 1A
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
Authors:Karpusas, M., Michelotti, E.L., Springman, E.B.
Deposit date:2005-06-10
Release date:2005-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZ2
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TWO CLASSES OF P38ALPHA MAP KINASE INHIBITORS HAVING A COMMON DIPHENYLETHER CORE BUT EXHIBITING DIVERGENT BINDING MODES
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE
Authors:Michelotti, E.L., Moffett, K.K., Springman, E.B., Karpusas, M.
Deposit date:2005-06-13
Release date:2005-10-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
3P5K
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
Authors:Namboodiri, H.
Deposit date:2010-10-08
Release date:2011-11-02
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
3P78
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
Authors:Moffett, K.K., Namboodiri, H.
Deposit date:2010-10-12
Release date:2011-10-12
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
3P79
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
Authors:Moffett, K.K., Namboodiri, H.
Deposit date:2010-10-12
Release date:2011-10-12
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
3P7A
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
Authors:Moffett, K.K., Namboodiri, H.
Deposit date:2010-10-12
Release date:2011-10-12
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
3P7B
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, B-OCTYLGLUCOSIDE
Authors:Moffett, K.K., Namboodiri, H.
Deposit date:2010-10-12
Release date:2011-10-12
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
3P7C
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P38 INHIBITOR-BOUND
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
Authors:Moffett, K.K., Namboodiri, H.
Deposit date:2010-10-12
Release date:2011-10-12
Last modified:2012-01-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011