Author results

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
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
分子名称:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
著者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.
登録日2004-10-06
公開日2005-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
著者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.
登録日2004-10-06
公開日2005-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
3GGA
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HIV PROTEASE INHIBITORS WITH PSEUDO-SYMMETRIC CORES
分子名称: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
著者Stoll, V.S.
登録日2009-02-27
公開日2009-05-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: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
著者Stoll, V.S.
登録日2009-03-02
公開日2009-05-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献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
分子名称: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
著者Stoll, V.S.
登録日2009-03-02
公開日2009-05-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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.
分子名称: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
著者DeGoey, D.A., Flosi, W.J., Grampovnik, D.J., Flentge, C.A.
登録日2011-05-27
公開日2012-04-11
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
5UEU
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BRD4_BD2_A-1107604
分子名称:Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEW
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BRD2 BROMODOMAIN2 WITH A-1360579
分子名称:Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEX
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BRD4_BD2_A-1497627
分子名称:Bromodomain-containing protein 4, 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEY
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BRD4_BD2_A-1412838
分子名称:Bromodomain-containing protein 4, 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEZ
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BRD4_BD2_A-1342843
分子名称:Bromodomain-containing protein 4, 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BRD4_BD2-A-35165
分子名称:Bromodomain-containing protein 4, 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one
著者Park, C.H.
登録日2017-01-03
公開日2017-06-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
1N49
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE VARIANT: STRUCTURAL INSIGHTS FOR BETTER ANTI-VIRAL THERAPY
分子名称:Protease, RITONAVIR
著者Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
登録日2002-10-30
公開日2003-01-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
2GVF
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A MACROCYCLIC KETOAMIDE INHIBITOR, SCH419021
分子名称:polyprotein, Polyprotein, ZINC ION, ...
著者Arasappan, A., Njoroge, F.G., Chen, K.X., Venkatraman, S., Parekh, T.N., Gu, H., Pichardo, J., Butkiewicz, N., Prongay, A., Madison, V., Girijavallabhan, V.
登録日2006-05-02
公開日2007-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006