Author results

4HNF
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CRYSTAL STRUCTURE OF CK1D IN COMPLEX WITH PF4800567
Descriptor:Casein kinase I isoform delta, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Huang, X., Long, A.M., Zhao, H.
Deposit date:2012-10-19
Release date:2012-11-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
4HNI
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CRYSTAL STRUCTURE OF CK1E IN COMPLEX WITH PF4800567
Descriptor:Casein kinase I isoform epsilon, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SULFATE ION
Authors:Huang, X., Long, A.M., Zhao, H.
Deposit date:2012-10-19
Release date:2012-11-14
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
4HOK
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CRYSTAL STRUCTURE OF APO CK1E
Descriptor:Casein kinase I isoform epsilon, SULFATE ION
Authors:Huang, X., Long, A.M., Zhao, H.
Deposit date:2012-10-22
Release date:2012-11-14
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
1T7P
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T7 DNA POLYMERASE COMPLEXED TO DNA PRIMER/TEMPLATE,A NUCLEOSIDE TRIPHOSPHATE, AND ITS PROCESSIVITY FACTOR THIOREDOXIN
Descriptor:DNA (5'-D(P*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*2DA)-3'), DNA (5'-D(P*CP*CP*TP*TP*GP*GP*CP*AP*CP*TP*GP*GP*C)-3'), DNA-directed DNA polymerase, ...
Authors:Doublie, S., Tabor, S., Long, A.M., Richardson, C.C., Ellenberger, T.
Deposit date:1997-09-24
Release date:1998-02-25
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a bacteriophage T7 DNA replication complex at 2.2 A resolution.
Nature, 391, 1998
2LZG
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NMR STRUCTURE OF MDM2 (6-125) WITH PIP-1
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Michelsen, K.B., Jordan, J.B., Lewis, J., Long, A.M., Yang, E., Rew, Y., Zhou, J., Yakowec, P., Schnier, P.D., Huang, X., Poppe, L.
Deposit date:2012-10-02
Release date:2012-11-07
Method:SOLUTION NMR
Cite:Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
2P2H
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A PYRIDINYL-TRIAZINE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
Authors:Whittington, D.A., Kim, J.L., Long, A.M., Rose, P., Gu, Y., Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P2I
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A NICOTINAMIDE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
Authors:Whittington, D.A., Kim, J.L., Long, A.M., Rose, P., Gu, Y., Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2QU5
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A BENZIMIDAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
Authors:Whittington, D.A., Kim, J.L., Long, A.M., Rose, P., Gu, Y., Zhao, H.
Deposit date:2007-08-03
Release date:2007-09-25
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
2QU6
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A BENZOXAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, SULFATE ION, 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
Authors:Whittington, D.A., Kim, J.L., Long, A.M., Rose, P., Gu, Y., Zhao, H.
Deposit date:2007-08-03
Release date:2007-09-25
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
2RL5
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A 2,3-DIHYDRO-1,4-BENZOXAZINE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE
Authors:Whittington, D.A., Long, A.M., Rose, P., Zhao, H.
Deposit date:2007-10-18
Release date:2008-04-08
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.
J.Med.Chem., 51, 2008
3EWH
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH A PYRIDYL-PYRIMIDINE BENZIMIDAZOLE INHIBITOR
Descriptor:vascular endothelial growth factor receptor 2, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, 1,2-ETHANEDIOL
Authors:Whittington, D.A., Long, A.M., Rose, P., Gu, Y., Zhao, H.
Deposit date:2008-10-15
Release date:2009-08-25
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
4OBA
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 4
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-07
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4ODE
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 4
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ODF
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 47
Descriptor:E3 ubiquitin-protein ligase Mdm2, 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2006 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGN
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHBITOR COMPOUND 3
Descriptor:E3 ubiquitin-protein ligase Mdm2, 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGT
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHBITOR COMPOUND 46
Descriptor:E3 ubiquitin-protein ligase Mdm2, 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.5361 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGV
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 49
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4WT2
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CO-CRYSTAL STRUCTURE OF MDM2 IN COMPLEX WITH AM-7209
Descriptor:E3 ubiquitin-protein ligase Mdm2, 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
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
1RDR
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POLIOVIRUS 3D POLYMERASE
Descriptor:POLIOVIRUS 3D POLYMERASE, CALCIUM ION
Authors:Hansen, J., Long, A., Schultz, S.
Deposit date:1998-04-28
Release date:1998-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the RNA-dependent RNA polymerase of poliovirus.
Structure, 5, 1997