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4KSG
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BU of 4ksg by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
Descriptor: 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
Authors:Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
Deposit date:2013-05-17
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KTN
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BU of 4ktn by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE)
Descriptor: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B
Authors:Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
Deposit date:2013-05-20
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
6CCW
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BU of 6ccw by Molmil
Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine
Descriptor: DNA (26-MER), Epiberberine
Authors:Lin, C, Yang, D.Z.
Deposit date:2018-02-07
Release date:2018-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Recognition of the Hybrid-2 Human Telomeric G-Quadruplex by Epiberberine: Insights into Conversion of Telomeric G-Quadruplex Structures.
Angew. Chem. Int. Ed. Engl., 57, 2018
1C11
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BU of 1c11 by Molmil
INTERCALATED D(TCCCGTTTCCA) DIMER, NMR, 7 STRUCTURES
Descriptor: DNA (5'-D(*TP*CP*CP*CP*GP*TP*TP*TP*CP*CP*A)-3')
Authors:Gallego, J, Chou, S.H, Reid, B.R.
Deposit date:1998-07-15
Release date:1998-07-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Centromeric pyrimidine strands fold into an intercalated motif by forming a double hairpin with a novel T:G:G:T tetrad: solution structure of the d(TCCCGTTTCCA) dimer.
J.Mol.Biol., 273, 1997
6TQI
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BU of 6tqi by Molmil
I-MOTIF STRUCTURE FORMED FROM THE C STRAND OF A HUMAN TELOMERE FRAGMENT
Descriptor: DNA (5'-*TP*AP*AP*CP*CP*CP*TP*AP*A-3')
Authors:Parkinson, G.N, Wagner, A, Viladoms-Claverol, J, Duman, R, El-Omari, K.
Deposit date:2019-12-16
Release date:2020-06-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
2AZO
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BU of 2azo by Molmil
DNA MISMATCH REPAIR PROTEIN MUTH FROM E. COLI
Descriptor: MUTH
Authors:Yang, W.
Deposit date:1997-11-20
Release date:1998-05-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for MutH activation in E.coli mismatch repair and relationship of MutH to restriction endonucleases.
EMBO J., 17, 1998
2N1G
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BU of 2n1g by Molmil
Structure of C-terminal domain of human polymerase Rev1 in complex with PolD3 RIR-motif
Descriptor: DNA polymerase delta subunit 3, DNA repair protein REV1
Authors:Pustovalova, Y, Korzhnev, D.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Interaction between the Rev1 C-Terminal Domain and the PolD3 Subunit of Pol zeta Suggests a Mechanism of Polymerase Exchange upon Rev1/Pol zeta-Dependent Translesion Synthesis.
Biochemistry, 55, 2016
2N60
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BU of 2n60 by Molmil
G-quadruplexes with (4n-1) guanines in the G-tetrad core: formation of a G-triad water complex and implication for small-molecule binding
Descriptor: DNA (5'-D(*TP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3')
Authors:Heddi, B, Martin-Pintado, N, Serimbetov, Z, Kari, T.M, Phan, A.T.
Deposit date:2015-08-08
Release date:2016-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:G-quadruplexes with (4n - 1) guanines in the G-tetrad core: formation of a G-triadwater complex and implication for small-molecule binding
Nucleic Acids Res., 44, 2016
1PVG
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BU of 1pvg by Molmil
Crystal Structure of the ATPase region of Saccharomyces Cerevisiae topoisomerase II
Descriptor: DNA topoisomerase II, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Classen, S, Olland, S, Berger, J.M.
Deposit date:2003-06-27
Release date:2003-08-26
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187
Proc.Natl.Acad.Sci.USA, 100, 2003
2PIS
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BU of 2pis by Molmil
Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs
Descriptor: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E.
Deposit date:2007-04-13
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs.
J.Am.Chem.Soc., 129, 2007
2F1I
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BU of 2f1i by Molmil
Recombinase in Complex with AMP-PNP
Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Qian, X, He, Y, Wu, Y, Luo, Y.
Deposit date:2005-11-14
Release date:2006-05-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Asp302 determines potassium dependence of a RadA recombinase from Methanococcus voltae.
J.Mol.Biol., 360, 2006
2F1H
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BU of 2f1h by Molmil
RECOMBINASE IN COMPLEX WITH AMP-PNP and Potassium
Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Qian, X, He, Y, Wu, Y, Luo, Y.
Deposit date:2005-11-14
Release date:2006-05-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Asp302 determines potassium dependence of a RadA recombinase from Methanococcus voltae.
J.Mol.Biol., 360, 2006
2LFX
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BU of 2lfx by Molmil
Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dT
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-07-18
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT.
Chem.Res.Toxicol., 25, 2012
2LFY
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BU of 2lfy by Molmil
Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dA
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-07-18
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT.
Chem.Res.Toxicol., 25, 2012
6VSX
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BU of 6vsx by Molmil
X-ray crystal structure of the C-terminal domain of Bacillus subtilis RNA polymerase binding helicase HelD
Descriptor: DNA helicase, PHOSPHATE ION
Authors:Murakami, K.S, Chon, U.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
3IFF
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BU of 3iff by Molmil
2'-SeMe-A modified DNA decamer
Descriptor: DNA (5'-D(*GP*TP*AP*CP*GP*CP*GP*TP*(XUA)P*C)-3'), MAGNESIUM ION
Authors:Sheng, J, Gan, J, Salon, J, Huang, Z.
Deposit date:2009-07-24
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selenium modification at 2'-position of adenosine for nucleic acid structure studies
To be Published
6WCK
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BU of 6wck by Molmil
KRAS G-quadruplex G16T mutant with Bromo Uracil replacing T8 and T16.
Descriptor: DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*(BRU)P*GP*TP*GP*GP*GP*AP*AP*(BRU)P*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION
Authors:Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S.
Deposit date:2020-03-30
Release date:2020-04-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
8I50
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BU of 8i50 by Molmil
Crystal structure of DNA octamer containing GuNA[Me,Me]
Descriptor: DNA (5'-D(*GP*(OIQ)P*GP*(BRU)P*AP*CP*AP*C)-3')
Authors:Aoyama, H, Obika, S, Yamaguchi, T.
Deposit date:2023-01-21
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids.
Nucleic Acids Res., 51, 2023
8HU5
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BU of 8hu5 by Molmil
Crystal structure of DNA octamer containing GuNA[Me,tBu]
Descriptor: DNA (5'-D(*GP*(LR6)P*GP*(BRU)P*AP*CP*AP*C)-3')
Authors:Aoyama, H, Obika, H, Yamaguchi, T.
Deposit date:2022-12-22
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids.
Nucleic Acids Res., 51, 2023
8H1G
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BU of 8h1g by Molmil
The R406T mutant form of the Aquifex aeolicus MutL endonuclease domain
Descriptor: CADMIUM ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, ...
Authors:Fukui, K, Yano, T.
Deposit date:2022-10-03
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Catalytic mechanism of the zinc-dependent MutL endonuclease reaction.
Life Sci Alliance, 6, 2023
8H1F
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BU of 8h1f by Molmil
Aquifex aeolicus MutL endonuclease domain complexed with zinc ions after soaking
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, ...
Authors:Fukui, K, Yano, T.
Deposit date:2022-10-03
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Catalytic mechanism of the zinc-dependent MutL endonuclease reaction.
Life Sci Alliance, 6, 2023
8H1E
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BU of 8h1e by Molmil
Aquifex aeolicus MutL endonuclease domain complexed with manganese ions
Descriptor: DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, MANGANESE (II) ION
Authors:Fukui, K, Yano, T.
Deposit date:2022-10-03
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Catalytic mechanism of the zinc-dependent MutL endonuclease reaction.
Life Sci Alliance, 6, 2023
3AK8
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BU of 3ak8 by Molmil
Crystal structure of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis
Descriptor: DNA protection during starvation protein, MAGNESIUM ION, SULFATE ION
Authors:Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y.
Deposit date:2010-07-08
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis
Acta Crystallogr.,Sect.F, 67, 2011
2GDJ
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BU of 2gdj by Molmil
Delta-62 RADA recombinase in complex with AMP-PNP and magnesium
Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wu, Y, Qian, X, He, Y, Luo, Y.
Deposit date:2006-03-16
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Rad51/RadA N-Terminal Domain Activates Nucleoprotein Filament ATPase Activity.
Structure, 14, 2006
3AK9
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BU of 3ak9 by Molmil
Crystal structure of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis, FE-soaked form
Descriptor: DNA protection during starvation protein, FE (II) ION, MAGNESIUM ION, ...
Authors:Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y.
Deposit date:2010-07-08
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis
Acta Crystallogr.,Sect.F, 67, 2011

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數據於2024-10-09公開中

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