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1M6F
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STRONG BINDING IN THE DNA MINOR GROOVE BY AN AROMATIC DIAMIDINE WITH A SHAPE THAT DOES NOT MATCH THE CURVATURE OF THE GROOVE
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
Authors:Nguyen, B., Lee, M.P.H., Hamelberg, D., Joubert, A., Bailly, C., Brun, R., Neidle, S., Wilson, W.D.
Deposit date:2002-07-16
Release date:2002-11-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
J.Am.Chem.Soc., 124, 2002
1IA8
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THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor:CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P., Luo, C., Deng, Y., Ryan, K., Register, J., Margosiak, S., Tempczyk-Russell, A., Nguyen, B., Myers, P., Lundgren, K., Chen Kan, C.-C., O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
3FSI
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CRYSTAL STRUCTURE OF A TRYPANOCIDAL 4,4'-BIS(IMIDAZOLINYLAMINO)DIPHENYLAMINE BOUND TO DNA
Descriptor:Reverse transcriptase domain, 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ...
Authors:Glass, L.S., Georgiadis, M.M., Goodwin, K.D.
Deposit date:2009-01-09
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA.
Biochemistry, 48, 2009
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
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