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1LCC
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BU of 1lcc by Molmil
STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
Descriptor: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
Authors:Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
Deposit date:1993-03-25
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
1LCD
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BU of 1lcd by Molmil
STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
Descriptor: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
Authors:Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
Deposit date:1993-03-25
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
6SXU
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BU of 6sxu by Molmil
GH51 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXR
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BU of 6sxr by Molmil
E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXT
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BU of 6sxt by Molmil
GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXV
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BU of 6sxv by Molmil
GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXS
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BU of 6sxs by Molmil
GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
482D
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BU of 482d by Molmil
RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG)
Descriptor: 5'-D(*CP*GP*AP*TP*CP*G)-3', N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN
Authors:Saminadin, P, Dautant, A, Mondon, M, Langlois D'Estaintot, B, Courseille, C, Precigoux, G.
Deposit date:1999-07-27
Release date:1999-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem., 267, 2000
2DES
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BU of 2des by Molmil
INTERACTIONS BETWEEN MORPHOLINYL ANTHRACYCLINES AND DNA: THE CRYSTAL STRUCTURE OF A MORPHOLINO DOXORUBICIN BOUND TO D(CGTACG)
Descriptor: 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Cirilli, M, Bachechi, F, Ughetto, G, Colonna, F.P, Capobianco, M.L.
Deposit date:1993-03-16
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interactions between morpholinyl anthracyclines and DNA. The crystal structure of a morpholino doxorubicin bound to d(CGTACG).
J.Mol.Biol., 230, 1993
1LQC
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BU of 1lqc by Molmil
LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES
Descriptor: LAC REPRESSOR
Authors:Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R.
Deposit date:1996-08-13
Release date:1997-02-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
1D22
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BU of 1d22 by Molmil
BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON
Descriptor: DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN
Authors:Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J.
Deposit date:1990-08-08
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
1D21
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BU of 1d21 by Molmil
BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON
Descriptor: DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), NOGALAMYCIN
Authors:Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J.
Deposit date:1990-08-08
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
1NAB
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BU of 1nab by Molmil
The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Descriptor: 5'-D(*CP*GP*AP*TP*CP*G)-3', 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
Authors:Temperini, C, Messori, L, Orioli, P, Di Bugno, C, Animati, F, Ughetto, G.
Deposit date:2002-11-27
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Nucleic Acids Res., 31, 2003
1D17
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BU of 1d17 by Molmil
DNA-NOGALAMYCIN INTERACTIONS
Descriptor: DNA (5'-D(*(5CM)P*GP*TP*AP*(5CM)P*G)-3'), NOGALAMYCIN
Authors:Egli, M, Williams, L.D, Frederick, C.A, Rich, A.
Deposit date:1990-08-08
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA-nogalamycin interactions.
Biochemistry, 30, 1991
1DCG
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BU of 1dcg by Molmil
THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J.
Deposit date:1988-08-29
Release date:1989-01-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG).
J.Biol.Chem., 264, 1989
1CJG
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BU of 1cjg by Molmil
NMR STRUCTURE OF LAC REPRESSOR HP62-DNA COMPLEX
Descriptor: DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), PROTEIN (LAC REPRESSOR)
Authors:Spronk, C.A.E.M, Bonvin, A.M.J.J, Radha, P.K, Melacini, G, Boelens, R, Kaptein, R.
Deposit date:1999-04-14
Release date:2000-01-01
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator.
Structure Fold.Des., 7, 1999
1D38
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BU of 1d38 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, MAGNESIUM ION
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1991-04-23
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
1D37
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BU of 1d37 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
Descriptor: 1-O-DEMETHYL-6-DEOXYDOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1991-04-23
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
1VS2
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BU of 1vs2 by Molmil
Interactions of quinoxaline antibiotic and DNA: the molecular structure of a TRIOSTIN A-D(GCGTACGC) complex
Descriptor: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', TRIOSTIN A
Authors:Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A.
Deposit date:1986-10-21
Release date:2006-06-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interactions of Quinoxaline Antibiotic and DNA: The Molecular Structure of a Triostin A-D(Gcgtacgc) Complex.
J.Biomol.Struct.Dyn., 4, 1986

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