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6BNA
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BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3'), NETROPSIN
Authors:Kopka, M.L., Yoon, C., Goodsell, D., Pjura, P., Dickerson, R.E.
Deposit date:1984-08-30
Release date:1984-10-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G.
J.Mol.Biol., 183, 1985
8BNA
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BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, MAGNESIUM ION
Authors:Pjura, P.E., Grzeskowiak, K., Dickerson, R.E.
Deposit date:1986-08-29
Release date:1987-01-15
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of Hoechst 33258 to the minor groove of B-DNA.
J.Mol.Biol., 197, 1987
5VCK
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HIV PROTEASE (PR) WITH TL-3 IN THE ACTIVE SITE AND (Z)-N-(THIAZOL-2-YL)-N'-TOSYLCARBAMIMIDATE IN THE EXOSITE
Descriptor:Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2017-03-31
Release date:2018-04-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5VEA
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HIV PROTEASE (PR) WITH TL-3 IN ACTIVE SITE AND 4-METHYLBENZENE-1,2-DIAMINE IN EXOSITE
Descriptor:HIV-1 protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, 4-methylbenzene-1,2-diamine, ...
Authors:Stout, C.D.
Deposit date:2017-04-04
Release date:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5VJ3
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HIV PROTEASE (PR) IN OPEN FORM WITH MG2+ IN ACTIVE SITE AND HIVE-9 IN EYE SITE
Descriptor:Protease, 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2017-04-18
Release date:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5W5W
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HIV PROTEASE (PR) IN OPEN FORM WITH MG2+ IN ACTIVE SITE AND HIVE-9 IN EYE SITE
Descriptor:HIV-1 protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, ...
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
1D43
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE UP
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Quintana, J.R., Lipanov, A.A., Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D44
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE DOWN
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Quintana, J.R., Lipanov, A.A., Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D45
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, MAGNESIUM ION
Authors:Quintana, J.R., Lipanov, A.A., Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1D46
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Quintana, J.R., Lipanov, A.A., Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
1DNE
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MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN
Authors:Coll, M., Aymami, J., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Wang, A.H.-J.
Deposit date:1988-09-14
Release date:1989-01-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular structure of the netropsin-d(CGCGATATCGCG) complex: DNA conformation in an alternating AT segment.
Biochemistry, 28, 1989
1VTJ
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MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 1
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN
Authors:Coll, M., Aymami, J., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Wang, A.H.-J.
Deposit date:1999-09-14
Release date:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Structure of the Netropsin-d(CGCGATATCGCG) Complex: DNA Conformation in an Alternating AT Segment
Biochemistry, 28, 1989