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7DQI
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BU of 7dqi by Molmil
E. coli GyrB ATPase domain in complex with Esculetin
分子名称: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQJ
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BU of 7dqj by Molmil
E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone
分子名称: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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BU of 7dqf by Molmil
E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQU
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E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQL
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BU of 7dql by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQS
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BU of 7dqs by Molmil
E. coli GyrB ATPase domain in complex with 2-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
1AGU
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BU of 1agu by Molmil
THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
著者Zegar, I.S, Stone, M.P.
登録日1997-03-25
公開日1997-08-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR
Biochemistry, 35, 1996
1AF1
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BU of 1af1 by Molmil
THE SOLUTION NMR STRUCTURE OF AN R-STYRENE OXIDE ADDUCT AT THE N2 POSITION OF GUANINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 11-13 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*GSRP*TP*GP*GP*TP*G)-3')
著者Zegar, I.S, Stone, M.P.
登録日1997-03-20
公開日1997-08-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 12 sequence: structural refinement of the minor groove R(12,2)- and S(12,2)-alpha-(N2-guanyl) stereoisomers from 1H NMR.
Biochemistry, 35, 1996
6W9P
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BU of 6w9p by Molmil
Tel26 Parallel Four-quartet G-quadruplex with K+
分子名称: DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION
著者McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J.
登録日2020-03-23
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
6TQI
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BU of 6tqi by Molmil
I-MOTIF STRUCTURE FORMED FROM THE C STRAND OF A HUMAN TELOMERE FRAGMENT
分子名称: DNA (5'-*TP*AP*AP*CP*CP*CP*TP*AP*A-3')
著者Parkinson, G.N, Wagner, A, Viladoms-Claverol, J, Duman, R, El-Omari, K.
登録日2019-12-16
公開日2020-06-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
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
分子名称: DNA protection during starvation protein, MAGNESIUM ION, SULFATE ION
著者Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y.
登録日2010-07-08
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis
Acta Crystallogr.,Sect.F, 67, 2011
2AZO
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BU of 2azo by Molmil
DNA MISMATCH REPAIR PROTEIN MUTH FROM E. COLI
分子名称: MUTH
著者Yang, W.
登録日1997-11-20
公開日1998-05-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for MutH activation in E.coli mismatch repair and relationship of MutH to restriction endonucleases.
EMBO J., 17, 1998
6CCW
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BU of 6ccw by Molmil
Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine
分子名称: DNA (26-MER), Epiberberine
著者Lin, C, Yang, D.Z.
登録日2018-02-07
公開日2018-06-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
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
分子名称: DNA protection during starvation protein, FE (II) ION, MAGNESIUM ION, ...
著者Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y.
登録日2010-07-08
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis
Acta Crystallogr.,Sect.F, 67, 2011
5Z8F
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BU of 5z8f by Molmil
Solution structure for the unique dimeric 4:2 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex
分子名称: 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER)
著者Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W.
登録日2018-01-31
公開日2018-09-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding
Nat Commun, 9, 2018
2F1I
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BU of 2f1i by Molmil
Recombinase in Complex with AMP-PNP
分子名称: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Qian, X, He, Y, Wu, Y, Luo, Y.
登録日2005-11-14
公開日2006-05-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Qian, X, He, Y, Wu, Y, Luo, Y.
登録日2005-11-14
公開日2006-05-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Asp302 determines potassium dependence of a RadA recombinase from Methanococcus voltae.
J.Mol.Biol., 360, 2006
2KWV
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BU of 2kwv by Molmil
Solution Structure of UBM1 of murine Polymerase iota in Complex with Ubiquitin
分子名称: DNA polymerase iota, Ubiquitin
著者Burschowsky, D, Rudolf, F, Rabut, G, Herrmann, T, Peter, M, Wider, G.
登録日2010-04-20
公開日2010-10-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural analysis of the conserved ubiquitin-binding motifs (UBMs) of the translesion polymerase iota in complex with ubiquitin.
J.Biol.Chem., 286, 2011
2KWU
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BU of 2kwu by Molmil
Solution Structure of UBM2 of murine Polymerase iota in Complex with Ubiquitin
分子名称: DNA polymerase iota, Ubiquitin
著者Burschowsky, D, Rudolf, F, Rabut, G, Herrmann, T, Peter, M, Wider, G.
登録日2010-04-19
公開日2010-10-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural analysis of the conserved ubiquitin-binding motifs (UBMs) of the translesion polymerase iota in complex with ubiquitin.
J.Biol.Chem., 286, 2011
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)
分子名称: 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
著者Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
登録日2013-05-17
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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)
分子名称: (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
著者Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
登録日2013-05-20
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
3IFF
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BU of 3iff by Molmil
2'-SeMe-A modified DNA decamer
分子名称: DNA (5'-D(*GP*TP*AP*CP*GP*CP*GP*TP*(XUA)P*C)-3'), MAGNESIUM ION
著者Sheng, J, Gan, J, Salon, J, Huang, Z.
登録日2009-07-24
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selenium modification at 2'-position of adenosine for nucleic acid structure studies
To be Published
1YTB
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BU of 1ytb by Molmil
CRYSTAL STRUCTURE OF A YEAST TBP/TATA-BOX COMPLEX
分子名称: DNA (29MER), PROTEIN (TATA BINDING PROTEIN (TBP))
著者Kim, Y, Geiger, J.H, Hahn, S, Sigler, P.B.
登録日1994-09-28
公開日1995-01-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a yeast TBP/TATA-box complex.
Nature, 365, 1993

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