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1PU6
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BU of 1pu6 by Molmil
Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-METHYLADENINE DNA GLYCOSYLASE, BETA-MERCAPTOETHANOL, ...
Authors:Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T.
Deposit date:2003-06-24
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
4AWN
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BU of 4awn by Molmil
Structure of recombinant human DNase I (rhDNaseI) in complex with Magnesium and Phosphate.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Parsiegla, G, Noguere, C, Santell, L, Lazarus, R.A, Bourne, Y.
Deposit date:2012-06-04
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structure of Human DNase I Bound to Magnesium and Phosphate Ions Points to a Catalytic Mechanism Common to Members of the DNase I-Like Superfamily.
Biochemistry, 51, 2012
1RVB
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BU of 1rvb by Molmil
MG2+ BINDING TO THE ACTIVE SITE OF ECO RV ENDONUCLEASE: A CRYSTALLOGRAPHIC STUDY OF COMPLEXES WITH SUBSTRATE AND PRODUCT DNA AT 2 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'), MAGNESIUM ION, PROTEIN (ECO RV (E.C.3.1.21.4))
Authors:Kostrewa, D, Winkler, F.K.
Deposit date:1994-10-21
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mg2+ binding to the active site of EcoRV endonuclease: a crystallographic study of complexes with substrate and product DNA at 2 A resolution.
Biochemistry, 34, 1995
1D81
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BU of 1d81 by Molmil
THE CONFORMATIONAL VARIABILITY OF AN ADENOSINE. INOSINE BASE-PAIR IN A SYNTHETIC DNA DODECAMER
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*IP*GP*CP*G)-3')
Authors:Leonard, G.A, Booth, E.D, Hunter, W.N, Brown, T.
Deposit date:1992-07-07
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The conformational variability of an adenosine.inosine base-pair in a synthetic DNA dodecamer.
Nucleic Acids Res., 20, 1992
7VM9
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BU of 7vm9 by Molmil
Solution NMR structures of DNA minidumbbell formed with two regular CTTTG pentaloops
Descriptor: DNA (5'-D(*CP*TP*TP*TP*GP*CP*TP*TP*TP*G)-3'), SODIUM ION
Authors:Ngai, C.K, Guo, P.
Deposit date:2021-10-08
Release date:2022-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A purine and a backbone discontinuous site alter the structure and thermal stability of DNA minidumbbells containing two pentaloops.
Febs Lett., 596, 2022
7ALU
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BU of 7alu by Molmil
NMR structure of a DNA G-quadruplex containing two SP1 binding sites from HIV-1 promoter
Descriptor: DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*GP*TP*GP*GP*CP*CP*TP*GP*GP*GP*CP*GP*GP*G)-3'), POTASSIUM ION
Authors:De Rache, A, Marquevielle, J, Amrane, S.
Deposit date:2020-10-07
Release date:2022-06-01
Last modified:2023-12-13
Method:SOLUTION NMR
Cite:Structure of a DNA G-quadruplex that modulates SP1 binding sites architecture in HIV-1 promoter.
J.Mol.Biol., 2023
1OIS
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BU of 1ois by Molmil
YEAST DNA TOPOISOMERASE I, N-TERMINAL FRAGMENT
Descriptor: DNA TOPOISOMERASE I
Authors:Lue, N, Sharma, A, Mondragon, A, Wang, J.C.
Deposit date:1996-09-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 26 kDa yeast DNA topoisomerase I fragment: crystallographic structure and mechanistic implications.
Structure, 3, 1995
1SE7
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BU of 1se7 by Molmil
Solution structure of the E. coli bacteriophage P1 encoded HOT protein: a homologue of the theta subunit of E. coli DNA polymerase III
Descriptor: HOMOLOGUE OF THE THETA SUBUNIT OF DNA POLYMERASE III
Authors:DeRose, E.F, Kirby, T.W, Mueller, G.A, Chikova, A.K, Schaaper, R.M, London, R.E.
Deposit date:2004-02-16
Release date:2004-12-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Phage Like It HOT: Solution Structure of the Bacteriophage P1-Encoded HOT Protein, a Homolog of the theta Subunit of E. coli DNA Polymerase III
Structure, 12, 2004
6KZX
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BU of 6kzx by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6L01
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BU of 6l01 by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6KZZ
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BU of 6kzz by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6M6K
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BU of 6m6k by Molmil
NMR solution structure of a DNA minidumbbell containing an abasic bulge between two CCTG repeats
Descriptor: DNA (5'-D(*CP*TP*TP*GP*(3DR)P*CP*TP*TP*G)-3'), SODIUM ION
Authors:Wan, L, Lam, S.L, Guo, P.
Deposit date:2020-03-15
Release date:2020-07-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Rational design of a reversible Mg2+/EDTA-controlled molecular switch based on a DNA minidumbbell.
Chem.Commun.(Camb.), 56, 2020
5HCH
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BU of 5hch by Molmil
X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair
Descriptor: (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol, CALCIUM ION, DNA (5'-D(*CP*GP*CP*AP*TP*TP*(DF)P*TP*AP*TP*CP*GP*C)-3'), ...
Authors:Roethlisberger, P, Istrate, A, Marcaida Lopez, M.J, Visini, R, Stocker, A, Leumann, C.J.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair.
Chem.Commun.(Camb.), 52, 2016
6M6J
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BU of 6m6j by Molmil
NMR solution structure of a DNA minidumbbell containing an abasic bulge between two CTTG repeats
Descriptor: DNA (5'-D(*CP*TP*TP*GP*(3DR)P*CP*TP*TP*G)-3'), SODIUM ION
Authors:Wan, L, Lam, S.L, Guo, P.
Deposit date:2020-03-15
Release date:2020-07-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Rational design of a reversible Mg2+/EDTA-controlled molecular switch based on a DNA minidumbbell.
Chem.Commun.(Camb.), 56, 2020
6KKV
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BU of 6kkv by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: DNA ligase A, N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-07-27
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
3GBI
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BU of 3gbi by Molmil
The Rational Design and Structural Analysis of a Self-Assembled Three-Dimensional DNA Crystal
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
Authors:Birktoft, J.J, Zheng, J, Seeman, N.C.
Deposit date:2009-02-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.018 Å)
Cite:From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal.
Nature, 461, 2009
8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
Descriptor: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA triplex structure with bound ruthenium polypyridyl complexes
To Be Published
5IXA
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BU of 5ixa by Molmil
HCMV DNA polymerase processivity subunit UL44 at neutral pH and low salt
Descriptor: DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
1EKW
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BU of 1ekw by Molmil
NMR STRUCTURE OF A DNA THREE-WAY JUNCTION
Descriptor: DNA (5'-D(*CP*GP*GP*TP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*CP*AP*CP*CP*G)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*TP*CP*GP*CP*AP*GP*C)-3')
Authors:Thiviyanathan, V, Luxon, B.A, Leontis, N.B, Donne, D, Gorenstein, D.G.
Deposit date:2000-03-09
Release date:2000-03-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Hybrid-hybrid matrix structural refinement of a DNA three-way junction from 3D NOESY-NOESY.
J.Biomol.NMR, 14, 1999
1EW1
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BU of 1ew1 by Molmil
RECA PROTEIN-BOUND SINGLE-STRANDED DNA
Descriptor: DNA (5'-D(*TP*AP*CP*G)-3')
Authors:Nishinaka, T, Ito, Y, Yokoyama, S, Shibata, T.
Deposit date:2000-04-21
Release date:2000-05-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An extended DNA structure through deoxyribose-base stacking induced by RecA protein.
Proc.Natl.Acad.Sci.USA, 94, 1997
1VCC
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BU of 1vcc by Molmil
AMINO TERMINAL 9KDA DOMAIN OF VACCINIA VIRUS DNA TOPOISOMERASE I RESIDUES 1-77, EXPERIMENTAL ELECTRON DENSITY FOR RESIDUES 1-77
Descriptor: DNA TOPOISOMERASE I
Authors:Sharma, A, Hanai, R, Mondragon, A.
Deposit date:1995-10-02
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the amino-terminal fragment of vaccinia virus DNA topoisomerase I at 1.6 A resolution.
Structure, 2, 1994
3Q0B
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BU of 3q0b by Molmil
Crystal structure of SUVH5 SRA- fully methylated CG DNA complex in space group P42212
Descriptor: DNA (5'-D(*AP*CP*TP*AP*(5CM)P*GP*TP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH5
Authors:Eerappa, R, Simanshu, D.K, Patel, D.J.
Deposit date:2010-12-15
Release date:2011-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
3Q0F
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BU of 3q0f by Molmil
Crystal structure of SUVH5 SRA- methylated CHH DNA complex
Descriptor: DNA (5'-D(*CP*TP*GP*AP*GP*GP*AP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*(5CM)P*CP*TP*CP*AP*G)-3'), Histone-lysine N-methyltransferase, ...
Authors:Eerappa, R, Simanshu, D.K, Patel, D.J.
Deposit date:2010-12-15
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
3Q0C
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BU of 3q0c by Molmil
Crystal structure of SUVH5 SRA-fully methylated CG DNA complex in space group P6122
Descriptor: DNA (5'-D(*AP*CP*TP*AP*(5CM)P*GP*TP*AP*GP*TP*T)-3'), Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH5, ...
Authors:Eerappa, R, Simanshu, D.K, Patel, D.J.
Deposit date:2010-12-15
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6567 Å)
Cite:A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
1P3X
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BU of 1p3x by Molmil
INTRAMOLECULAR DNA TRIPLEX WITH 1-PROPYNYL DEOXYURIDINE IN THE THIRD STRAND, NMR, 10 STRUCTURES
Descriptor: DNA (5'-D(*(PDU)P*CP*(PDU)P*(DCM)P*(PDU)P*CP*(PDU)P*(PDU))-3'), DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*TP*CP*TP*CP*T)-3')
Authors:Phipps, A.K, Tarkoy, M, Schultze, P, Feigon, J.
Deposit date:1998-02-05
Release date:1998-05-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of an intramolecular DNA triplex containing 5-(1-propynyl)-2'-deoxyuridine residues in the third strand.
Biochemistry, 37, 1998

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