Author results

1MUI
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH LOPINAVIR.
Descriptor:protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Stoll, V., Qin, W., Stewart, K.D., Jakob, C., Park, C., Walter, K., Simmer, R.L., Helfrich, R., Bussiere, D., Kao, J., Kempf, D., Sham, H.L., Norbeck, D.W.
Deposit date:2002-09-23
Release date:2002-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
1NI1
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IMIDAZOLE AND CYANOPHENYL FARNESYL TRANSFERASE INHIBITORS
Descriptor:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
Authors:Tong, Y., Lin, N.H., Wang, L., Hasvold, L., Wang, W., Leonard, N., Li, T., Li, Q., Cohen, J., Gu, W.Z., Zhang, H., Stoll, V., Bauch, J., Marsh, K., Rosenberg, S.H., Sham, H.L.
Deposit date:2002-12-20
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
1XOE
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N9 TERN INFLUENZA NEURAMINIDASE COMPLEXED WITH (2R,4R,5R)-5-(1-ACETYLAMINO-3-METHYL-BUTYL-PYRROLIDINE-2, 4-DICAROBYXYLIC ACID 4-METHYL ESTERDASE COMPLEXED WITH
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wang, G.T., Wang, S., Gentles, R., Sowin, T., Maring, C.J., Kempf, D.J., Kati, W.M., Stoll, V., Stewart, K.D., Laver, G.
Deposit date:2004-10-06
Release date:2005-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
1XOG
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N9 TERN INFLUENZA NEURAMINIDASE COMPLEXED WITH A 2,5-DISUBSTITUTED TETRAHYDROFURAN-5-CARBOXYLIC ACID
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wang, G.T., Wang, S., Gentles, R., Sowin, T., Maring, C.J., Kempf, D.J., Kati, W.M., Stoll, V., Stewart, K.D., Laver, G.
Deposit date:2004-10-06
Release date:2005-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
2A4F
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SYNTHESIS AND ACTIVITY OF N-AXYL AZACYCLIC UREA HIV-1 PROTEASE INHIBITORS WITH HIGH POTENCY AGAINST MULTIPLE DRUG RESISTANT VIRAL STRAINS.
Descriptor:Pol polyprotein, (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
Authors:Zhao, C., Sham, H., Sun, M., Lin, S., Stoll, V., Stewart, K.D., Mo, H., Vasavanonda, S., Saldivar, A., McDonald, E.
Deposit date:2005-06-28
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains
Bioorg.Med.Chem.Lett., 15, 2005
3GGA
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HIV PROTEASE INHIBITORS WITH PSEUDO-SYMMETRIC CORES
Descriptor:V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-02-27
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3GGV
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HIV PROTEASE, PSEUDO-SYMMETRIC INHIBITORS
Descriptor:V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-03-02
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3GGX
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HIV PROTEASE, PSEUDO-SYMMETRIC INHIBITORS
Descriptor:V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-03-02
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
1N94
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ARYL TETRAHYDROPYRIDINE INHBITORS OF FARNESYLTRANSFERASE: GLYCINE, PHENYLALANINE AND HISTIDINE DERIVATES
Descriptor:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, ...
Authors:Gwaltney II, S.L., O'Connor, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
Deposit date:2002-11-22
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N95
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ARYL TETRAHYDROPHYRIDINE INHBITORS OF FARNESYLTRANFERASE: GLYCINE, PHENYLALANINE AND HISTIDINE DERIVATIVES
Descriptor:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
Authors:Gwaltney II, S.L., O'Conner, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
Deposit date:2002-11-22
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N9A
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FARNESYLTRANSFERASE COMPLEX WITH TETRAHYDROPYRIDINE INHIBITORS
Descriptor:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
Authors:Gwaltney II, S.L., O'Conner, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
Deposit date:2002-11-22
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg.Med.Chem.Lett., 13, 2003
3NEW
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P38-ALPHA COMPLEXED WITH COMPOUND 10
Descriptor:Mitogen-activated protein kinase 14, 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Authors:Goedken, E.R., Comess, K.M., Sun, C., Argiriadi, M., Jia, Y., Quinn, C.M., Banach, D.L., Marcotte, D., Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
3O17
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CRYSTAL STRUCTURE OF JNK1-ALPHA1 ISOFORM
Descriptor:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-20
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
3O2M
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CRYSTAL STRUCTURE OF JNK1-ALPHA1 ISOFORM COMPLEX WITH A BIARYL TETRAZOL (A-82118)
Descriptor:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-22
Release date:2011-01-12
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
3S85
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DISCOVERY OF NEW HIV PROTEASE INHIBITORS WITH POTENTIAL FOR CONVENIENT DOSING AND REDUCED SIDE EFFECTS: A-790742 AND A-792611.
Descriptor:Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:DeGoey, D.A., Flosi, W.J., Grampovnik, D.J., Flentge, C.A.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009