Author results

1AV7
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SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-09-29
公開日1998-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1AVT
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SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-09-19
公開日1998-03-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1GRT
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HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT
分子名称:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
登録日1996-12-17
公開日1997-06-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
1VGC
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GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:GAMMA CHYMOTRYPSIN, SULFATE ION, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1VSB
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SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:SUBTILISIN CARLSBERG, TYPE VIII
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-09-17
公開日1998-03-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
2GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED GLUTATHIONE COMPLEX
分子名称:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, OXIDIZED GLUTATHIONE DISULFIDE
著者Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
2VGC
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GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:GAMMA CHYMOTRYPSIN, SULFATE ION, D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
分子名称:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
著者Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3VGC
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GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX
分子名称:GAMMA CHYMOTRYPSIN, SULFATE ION, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3VSB
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SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-09-25
公開日1998-03-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
4GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
分子名称:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
著者Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
4VGC
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GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:GAMMA CHYMOTRYPSIN, SULFATE ION, D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
著者Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX
分子名称:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONYLSPERMIDINE DISULFIDE
著者Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
2F7E
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PKA COMPLEXED WITH (S)-2-(1H-INDOL-3-YL)-1-(5-ISOQUINOLIN-6-YL-PYRIDIN-3-YLOXYMETHYL-ETYLAMINE
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI inhibitory peptide, ...
著者Stoll, V.S.
登録日2005-11-30
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2OH0
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
著者Stoll, V.S.
登録日2007-01-09
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2OJF
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
著者Stoll, V.S.
登録日2007-01-12
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
3JXW
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DISCOVERY OF 3H-BENZO[4,5]THIENO[3,2-D]PYRIMIDIN-4-ONES AS POTENT, HIGHLY SELECTIVE AND ORALLY BIOAVAILABLE PIM KINASES INHIBITORS
分子名称:Proto-oncogene serine/threonine-protein kinase Pim-1, 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
著者Stoll, V.S.
登録日2009-09-21
公開日2009-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
3JY0
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DISCOVERY OF 3H-BENZO[4,5]THIENO[3,2-D]PYRIMIDIN-4-ONES AS POTENT, HIGHLY SELECTIVE AND ORALLY BIOAVAILABLE PIM KINASES INHIBITORS
分子名称:Proto-oncogene serine/threonine-protein kinase Pim-1, 8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
著者Stoll, V.S.
登録日2009-09-21
公開日2009-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
To be Published
3JYA
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DISCOVERY OF 3H-BENZO[4,5]THIENO[3,2-D]PYRIMIDIN-4-ONES AS POTENT, HIGHLY SELECTIVE AND ORALLY BIOAVAILABLE PIM KINASES INHIBITORS
分子名称:Proto-oncogene serine/threonine-protein kinase Pim-1, 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
著者Stoll, V.S.
登録日2009-09-21
公開日2009-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
1RGQ
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M9A HCV PROTEASE COMPLEX WITH PENTAPEPTIDE KETO-AMIDE INHIBITOR
分子名称:NS3 Protease, NS4A peptide, ZINC ION, ...
著者Liu, Y., Stoll, V.S., Richardson, P.L., Saldivar, A., Klaus, J.L., Molla, A., Kohlbrenner, W., Kati, W.M.
登録日2003-11-12
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure.
Arch.Biochem.Biophys., 421, 2004
1RRI
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3] TRIAZOLO [4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-08
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRW
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DHNA COMPLEXED WITH 9-METHYLGUANINE
分子名称:Dihydroneopterin aldolase, 9-METHYLGUANINE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRY
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DHNA COMPLEXED WITH 2-AMINO-4-HYDROXY-5-CARBOXYETHYLPYRIMIDINE
分子名称:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS2
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DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
分子名称:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS4
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DHNA, 7,8-DIHYDRONEOPTERIN ALDOLASE COMPLEXED WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
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