Author results

1KB2
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CRYSTAL STRUCTURE OF VDR DNA-BINDING DOMAIN BOUND TO MOUSE OSTEOPONTIN (SPP) RESPONSE ELEMENT
Descriptor:5'-D(*CP*AP*CP*GP*GP*TP*TP*CP*AP*CP*GP*AP*GP*GP*TP*TP*CP*A)-3', 5'-D(*TP*GP*AP*AP*CP*CP*TP*CP*GP*TP*GP*AP*AP*CP*CP*GP*TP*G)-3', Vitamin D3 Receptor, ...
Authors:Shaffer, P.L., Gewirth, D.T.
Deposit date:2001-11-05
Release date:2002-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
1KB4
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CRYSTAL STRUCTURE OF VDR DNA-BINDING DOMAIN BOUND TO A CANONICAL DIRECT REPEAT WITH THREE BASE PAIR SPACER (DR3) RESPONSE ELEMENT
Descriptor:5'-D(*CP*AP*CP*AP*GP*GP*TP*CP*AP*CP*GP*AP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*GP*AP*CP*CP*TP*TP*CP*GP*TP*GP*AP*CP*CP*TP*GP*TP*G)-3', Vitamin D3 Receptor, ...
Authors:Shaffer, P.L., Gewirth, D.T.
Deposit date:2001-11-05
Release date:2002-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
1KB6
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CRYSTAL STRUCTURE OF VDR DNA-BINDING DOMAIN BOUND TO RAT OSTEOCALCIN (OC) RESPONSE ELEMENT
Descriptor:5'-D(*CP*AP*CP*GP*GP*GP*TP*GP*AP*AP*TP*GP*AP*GP*GP*AP*CP*A)-3', 5'-D(*TP*GP*TP*CP*CP*TP*CP*AP*TP*TP*CP*AP*CP*CP*CP*GP*TP*G)-3', Vitamin D3 Receptor, ...
Authors:Shaffer, P.L., Gewirth, D.T.
Deposit date:2001-11-05
Release date:2002-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
1R4I
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CRYSTAL STRUCTURE OF ANDROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO A DIRECT REPEAT RESPONSE ELEMENT
Descriptor:5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*AP*AP*GP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*CP*TP*TP*GP*AP*TP*GP*TP*TP*CP*TP*GP*G)-3', Androgen receptor, ...
Authors:Shaffer, P.L., Jivan, A., Dollins, D.E., Claessens, F., Gewirth, D.T.
Deposit date:2003-10-06
Release date:2004-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of androgen receptor binding to selective androgen response elements.
Proc.Natl.Acad.Sci.USA, 101, 2004
1YNW
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CRYSTAL STRUCTURE OF VITAMIN D RECEPTOR AND 9-CIS RETINOIC ACID RECEPTOR DNA-BINDING DOMAINS BOUND TO A DR3 RESPONSE ELEMENT
Descriptor:5'-d(*TP*TP*AP*GP*GP*TP*CP*AP*CP*GP*AP*AP*GP*GP*TP*CP*AP*A)-3', 5'-d(*TP*TP*TP*GP*AP*CP*CP*TP*TP*CP*GP*TP*GP*AP*CP*CP*TP*A)-3', Vitamin D3 Receptor, ...
Authors:Shaffer, P.L., Gewirth, D.T.
Deposit date:2005-01-25
Release date:2005-02-15
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analysis of RXR-VDR interactions on DR3 DNA
J.Steroid Biochem.Mol.Biol., 89-90, 2004
3GI8
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CRYSTAL STRUCTURE OF APCT K158A TRANSPORTER BOUND TO 7F11 MONOCLONAL FAB FRAGMENT
Descriptor:Uncharacterized protein MJ0609, 7F11 Anti-ApcT Monoclonal Fab Light Chain, 7F11 Anti-ApcT Monoclonal Fab Heavy Chain
Authors:Shaffer, P.L., Goehring, A.S., Shankaranarayanan, A., Gouaux, E., New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3GI9
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CRYSTAL STRUCTURE OF APCT TRANSPORTER BOUND TO 7F11 MONOCLONAL FAB FRAGMENT
Descriptor:7F11 Anti-ApcT Monoclonal Fab Light Chain, 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, Uncharacterized protein MJ0609
Authors:Shaffer, P.L., Goehring, A.S., Shankaranarayanan, A., Gouaux, E., New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3GIA
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CRYSTAL STRUCTURE OF APCT TRANSPORTER
Descriptor:Uncharacterized protein MJ0609, DECANE, BICINE
Authors:Shaffer, P.L., Goehring, A.S., Shankaranarayanan, A., Gouaux, E., New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
4FHJ
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH IMIDAZOPYRIDINE 2
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
Authors:Shaffer, P.L., Tang, J., Yakowec, P.
Deposit date:2012-06-06
Release date:2012-07-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4FHK
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH IMIDAZOPYRIDAZINE 19E
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine
Authors:Shaffer, P.L., Tang, J., Yakowec, P.
Deposit date:2012-06-06
Release date:2013-04-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4X7H
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO N-{5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PYRIDIN-2-YL}-1-METHYL-3-OXO-2-PHENYL-5-(PYRIDIN-4-YL)-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXAMIDE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION
Authors:Shaffer, P.L., Bellon, S.F., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7J
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CO-CRYSTAL STRUCTURE OF PERK WITH 2-AMINO-N-[4-METHOXY-3-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, L(+)-TARTARIC ACID
Authors:Shaffer, P.L., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7K
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO 4-{2-AMINO-3-[5-FLUORO-2-(METHYLAMINO)QUINAZOLIN-6-YL]-4-METHYLBENZOYL}-1-METHYL-2,5-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, L(+)-TARTARIC ACID, ...
Authors:Shaffer, P.L., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7L
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO 4-{2-AMINO-4-METHYL-3-[2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL]BENZOYL}-1-METHYL-2,5-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, L(+)-TARTARIC ACID, ...
Authors:Shaffer, P.L., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7N
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO 4-[2-AMINO-4-METHYL-3-(2-METHYLQUINOLIN-6-YL)BENZOYL]-1-METHYL-2,5-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, L(+)-TARTARIC ACID
Authors:Shaffer, P.L., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7O
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO 1-[5-(4-AMINO-2,7-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-[3-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]ETHANONE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Authors:Shaffer, P.L., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
5CFB
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CRYSTAL STRUCTURE OF HUMAN GLYCINE RECEPTOR ALPHA-3 BOUND TO STRYCHNINE
Descriptor:Glycine receptor subunit alpha-3,Glycine receptor subunit alpha-3, STRYCHNINE, N-ACETYL-D-GLUCOSAMINE
Authors:Shaffer, P.L., Huang, X., Chen, H.
Deposit date:2015-07-08
Release date:2015-09-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structure of human glycine receptor-alpha 3 bound to antagonist strychnine.
Nature, 526, 2015
5TIN
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CRYSTAL STRUCTURE OF HUMAN GLYCINE RECEPTOR ALPHA-3 MUTANT N38Q BOUND TO AM-3607
Descriptor:Glycine receptor subunit alpha-3, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
Authors:Shaffer, P.L., Huang, X., Chen, H.
Deposit date:2016-10-03
Release date:2017-01-18
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
5TIO
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CRYSTAL STRUCTURE OF HUMAN GLYCINE RECEPTOR ALPHA-3 BOUND TO AM-3607
Descriptor:Glycine receptor subunit alpha-3, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
Authors:Shaffer, P.L., Huang, X., Chen, H.
Deposit date:2016-10-03
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
5VDH
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CRYSTAL STRUCTURE OF HUMAN GLYCINE RECEPTOR ALPHA-3 BOUND TO AM-3607, GLYCINE, AND IVERMECTIN
Descriptor:Glycine receptor subunit alpha-3, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
Authors:Shaffer, P.L., Huang, X., Chen, H.
Deposit date:2017-04-03
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
5VDI
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CRYSTAL STRUCTURE OF HUMAN GLYCINE RECEPTOR ALPHA-3 MUTANT N38Q BOUND TO AM-3607, GLYCINE, AND IVERMECTIN
Descriptor:Glycine receptor subunit alpha-3, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
Authors:Shaffer, P.L., Huang, X., Chen, H.
Deposit date:2017-04-03
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
1TBW
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LIGAND INDUCED CONFORMATIONAL SHIFT IN THE N-TERMINAL DOMAIN OF GRP94, OPEN CONFORMATION
Descriptor:Endoplasmin, MAGNESIUM ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Gewirth, D.T., Immormino, R.M., Dollins, D.E., Shaffer, P.L., Walker, M.A., Soldano, K.L.
Deposit date:2004-05-20
Release date:2004-08-24
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
1TC0
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LIGAND INDUCED CONFORMATIONAL SHIFTS IN THE N-TERMINAL DOMAIN OF GRP94, OPEN CONFORMATION COMPLEXED WITH THE PHYSIOLOGICAL PARTNER ATP
Descriptor:Endoplasmin, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gewirth, D.T., Immormino, R.M., Dollins, D.E., Shaffer, P.L., Walker, M.A., Soldano, K.L.
Deposit date:2004-05-20
Release date:2004-08-24
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
1TC6
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LIGAND INDUCED CONFORMATIONAL SHIFT IN THE N-TERMINAL DOMAIN OF GRP94, OPEN CONFORMATION ADP-COMPLEX
Descriptor:Endoplasmin, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Gewirth, D.T., Immormino, R.M., Dollins, D.E., Shaffer, P.L., Walker, M.A., Soldano, K.L.
Deposit date:2004-05-20
Release date:2004-08-24
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
4JWR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR {(2S,5R,6S)-6-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-4-[(2S)-1-HYDROXYBUTAN-2-YL]-3-OXOMORPHOLIN-2-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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