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6BNA
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BU of 6bna by Molmil
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:2024-03-13
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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BU of 8bna by Molmil
BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Pjura, P.E, Grzeskowiak, K, Dickerson, R.E.
Deposit date:1986-08-29
Release date:1987-01-15
Last modified:2024-02-14
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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BU of 5vck by Molmil
HIV Protease (PR) with TL-3 in the active site and (Z)-N-(thiazol-2-yl)-N'-tosylcarbamimidate in the exosite
Descriptor: 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide, 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
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-03-31
Release date:2018-04-18
Last modified:2023-10-04
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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BU of 5vea by Molmil
HIV Protease (PR) with TL-3 in active site and 4-methylbenzene-1,2-diamine in exosite
Descriptor: 4-methylbenzene-1,2-diamine, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Stout, C.D.
Deposit date:2017-04-04
Release date:2018-04-25
Last modified:2023-10-04
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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BU of 5vj3 by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION, Protease
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-04-18
Release date:2018-04-18
Last modified:2023-10-04
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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BU of 5w5w by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
1VTJ
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BU of 1vtj by Molmil
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
Last modified:2023-12-27
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
1D43
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BU of 1d43 by Molmil
DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE UP
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
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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BU of 1d44 by Molmil
DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
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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BU of 1d45 by Molmil
DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
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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BU of 1d46 by Molmil
DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
Deposit date:1991-06-04
Release date:1992-04-15
Last modified:2024-02-07
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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BU of 1dne by Molmil
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:2024-02-07
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

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