Author results

3OT3
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X-RAY CRYSTAL STRUCTURE OF COMPOUND 22K BOUND TO HUMAN CHK1 KINASE DOMAIN
分子名称:Serine/threonine-protein kinase Chk1, 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O.
登録日2010-09-10
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2.
Bioorg.Med.Chem.Lett., 21, 2011
3OT8
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X-RAY CRYSTAL STRUCTURE OF COMPOUND 17R BOUND TO HUMAN CHK1 KINASE DOMAIN
分子名称:Serine/threonine-protein kinase Chk1, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, GLYCEROL
著者Fischmann, T.O.
登録日2010-09-10
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6455 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Bioorg.Med.Chem.Lett., 21, 2011
3LON
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HCV NS3-4A PROTEASE DOMAIN WITH KETOAMIDE INHIBITOR NARLAPREVIR
分子名称:Genome polyprotein, KK-NS4a(21-39)-KK, ZINC ION, ...
著者Prongay, A.J.
登録日2010-02-04
公開日2011-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
3LGP
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH BENZIMIDAZOLYL-THIENYL-TARTRATE BASED INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0T
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDANTOIN INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0V
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH THE FIRST HYDANTOIN INHIBITOR OCCUPYING THE S1' POCKET
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KMC
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH TARTRATE-BASED INHIBITOR
分子名称:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3KME
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH PHENYL-PYRROLIDINYL-TARTRATE INHIBITOR
分子名称:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3HVL
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TETHERED PXR-LBD/SRC-1P COMPLEXED WITH SR-12813
分子名称:Pregnane X receptor, Linker, Steroid receptor coactivator 1, ...
著者Lesburg, C.A., Wang, W., Prosise, W.W., Chen, J., Taremi, S.S., Le, H.V., Madison, V., Cui, X., Thomas, A., Cheng, K.C.
登録日2009-06-16
公開日2009-08-04
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
3EWJ
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH CARBOXYLATE INHIBITOR
分子名称:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2008-10-15
公開日2008-11-18
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3EDZ
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDROXAMATE INHIBITOR
分子名称:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Mazzola, R.D., Zhu, Z., Sinning, L., McKittrick, B., Lavey, B., Spitler, J., Kozlowski, J., Neng-Yang, S., Zhou, G., Guo, Z., Orth, P., Madison, V., Sun, J., Lundell, D., Niu, X.
登録日2008-09-03
公開日2008-09-23
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
3E8R
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDROXAMATE INHIBITOR
分子名称:ADAM 17, ZINC ION, (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
3D85
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CRYSTAL STRUCTURE OF IL-23 IN COMPLEX WITH NEUTRALIZING FAB
分子名称:FAB of antibody 7G10, light chain, heavy chain, ...
著者Beyer, B.M., Ingram, R., Ramanathan, L., Reichert, P., Le, H., Madison, V.
登録日2008-05-22
公開日2008-09-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3D87
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CRYSTAL STRUCTURE OF INTERLEUKIN-23
分子名称:Interleukin-23 subunit p19, Interleukin-12 subunit p40, PHOSPHATE ION, ...
著者Beyer, B.M., Ingram, R., Ramanathan, L., Reichert, P., Le, H., Madison, V.
登録日2008-05-22
公開日2008-09-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3CTB
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TETHERED PXR-LBD/SRC-1P APOPROTEIN
分子名称:Pregnane X receptor, Linker, Steroid receptor coactivator 1
著者Lesburg, C.A.
登録日2008-04-11
公開日2008-12-02
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
2R3F
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3G
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3J
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3K
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3N
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
分子名称:Cell division protein kinase 2, (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
著者Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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