Author results

1RGQ
  • Download 1rgq
  • View 1rgq
Molmil generated image of 1rgq
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
1PRO
  • Download 1pro
  • View 1pro
Molmil generated image of 1pro
HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881
分子名称:HIV-1 PROTEASE, (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
著者Park, C.H., Kong, X.P., Dealwis, C.G.
登録日1995-07-18
公開日1996-08-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
2KP8
  • Download 2kp8
  • View 2kp8
Molmil generated image of 2kp8
LIGAND BOUND TO A MODEL PEPTIDE THAT MIMICS THE OPEN FUSOGENIC FORM
分子名称:Model peptide, 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
著者Olejniczak, E.T.
登録日2009-10-09
公開日2010-01-19
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 2009
3A2O
  • Download 3a2o
  • View 3a2o
Molmil generated image of 3a2o
CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH KNI-1689
分子名称:PROTEASE, GLYCEROL, (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide
著者Adachi, M., Tamada, T., Hidaka, K., Kimura, T., Kiso, Y., Kuroki, R.
登録日2009-05-26
公開日2010-03-02
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
3GGA
  • Download 3gga
  • View 3gga
Molmil generated image of 3gga
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
  • Download 3ggv
  • View 3ggv
Molmil generated image of 3ggv
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
  • Download 3ggx
  • View 3ggx
Molmil generated image of 3ggx
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
  • Download 3s85
  • View 3s85
Molmil generated image of 3s85
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
2GVF
  • Download 2gvf
  • View 2gvf
Molmil generated image of 2gvf
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