Author results

1AV7
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SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-09-29
Release date:1998-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-09-19
Release date:1998-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1996-12-17
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor:GAMMA CHYMOTRYPSIN, SULFATE ION, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-09-17
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, OXIDIZED GLUTATHIONE DISULFIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:GAMMA CHYMOTRYPSIN, SULFATE ION, D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: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
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:GAMMA CHYMOTRYPSIN, SULFATE ION, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor:SUBTILISIN CARLSBERG, TYPE VIII, SODIUM ION
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor:GAMMA CHYMOTRYPSIN, SULFATE ION, D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Authors:Stoll, V.S., Eger, B.T., Hynes, R.C., Martichonok, V., Jones, J.B., Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONYLSPERMIDINE DISULFIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2005-11-30
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2007-01-12
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: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
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:NS3 Protease, NS4A peptide, ZINC ION, ...
Authors:Liu, Y., Stoll, V.S., Richardson, P.L., Saldivar, A., Klaus, J.L., Molla, A., Kohlbrenner, W., Kati, W.M.
Deposit date:2003-11-12
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Authors: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.
Deposit date:2003-12-08
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 9-METHYLGUANINE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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