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PDB: 123 件
6BZA
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BU of 6bza by Molmil
Crystal structure of halogenase PltM in complex with phloroglucinol and FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM, ...
著者Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-12-22
公開日2019-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
6BZT
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BU of 6bzt by Molmil
Crystal structure of halogenase PltM L111Y mutant in complex with FAD
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-12-26
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
6BZQ
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BU of 6bzq by Molmil
Crystal structure of halogenase PltM in complex with FAD
分子名称: BROMIDE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-12-25
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
6B0U
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BU of 6b0u by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a Lys-containing peptide
分子名称: COENZYME A, N-acetyltransferase Eis, Synthetic peptide ATKAPAKKA
著者Biswas, T, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-09-15
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Acetylation by Eis and Deacetylation by Rv1151c of Mycobacterium tuberculosis HupB: Biochemical and Structural Insight.
Biochemistry, 57, 2018
5W35
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BU of 5w35 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with a double-stranded DNA oligomer with a 1-nucleotide overhang
分子名称: DNA primase, synthetic DNA oligomer 5'-CCACTTCCGGTC, synthetic DNA oligomer 5'-TGACCGGAAGTGG
著者Hou, C, Tsodikov, O.V.
登録日2017-06-07
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
5W36
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BU of 5w36 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with a double-stranded DNA oligomer with a 6-nucleotide overhang
分子名称: DNA primase, STRONTIUM ION, synthetic DNA 5'-TATCGTCCCGCCTC
著者Hou, C, Tsodikov, O.V.
登録日2017-06-07
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
5W34
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BU of 5w34 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with double-stranded DNA GACCGGAAGTGG
分子名称: DNA oligomer 5'-CCACTTCCGGTC, DNA oligomer 5'-GACCGGAAGTGG, DNA primase
著者Hou, C, Tsodikov, O.V.
登録日2017-06-07
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
5W33
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BU of 5w33 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG
分子名称: DNA primase, SULFATE ION
著者Hou, C, Biswas, T, Tsodikov, O.V.
登録日2017-06-07
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
6DWT
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BU of 6dwt by Molmil
Crystal structure of double-stranded DNA GAGGCCTC, crystals grown in Mg2+
分子名称: DNA (5'-D(*GP*AP*GP*GP*CP*CP*TP*C)-3'), MAGNESIUM ION
著者Hou, C, Tsodikov, O.V.
登録日2018-06-27
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Utilizing guanine coordinated Zn2+ to determine DNA crystal structures by single-wavelength anomalous diffraction
Acta Crystallogr.,Sect.D, 75, 2019
6DXJ
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BU of 6dxj by Molmil
Crystal structure of double-stranded DNA GAGGCCTC; crystals grown in Zn2+
分子名称: DNA (5'-D(*GP*AP*GP*GP*CP*CP*TP*C)-3'), ZINC ION
著者Hou, C, Tsodikov, O.V.
登録日2018-06-29
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Utilizing guanine coordinated Zn2+ to determine DNA crystal structures by single-wavelength anomalous diffraction
Acta Crystallogr.,Sect.D, 75, 2019
6DY5
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BU of 6dy5 by Molmil
Crystal structure of double-stranded DNA AGGGATCCCT in complex with Zn2+
分子名称: DNA (5'-D(*AP*GP*GP*GP*AP*TP*CP*CP*CP*T)-3'), SPERMIDINE, ZINC ION
著者Hou, C, Tsodikov, O.V.
登録日2018-07-01
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Utilizing guanine coordinated Zn2+ to determine DNA crystal structures by single-wavelength anomalous diffraction
Acta Crystallogr.,Sect.D, 75, 2019
6DY9
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BU of 6dy9 by Molmil
Crystal structure of double-stranded DNA GGGATCCC; crystals grown in Zn2+
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*CP*CP*C)-3'), ZINC ION
著者Hou, C, Tsodikov, O.V.
登録日2018-07-01
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Utilizing guanine coordinated Zn2+ to determine DNA crystal structures by single-wavelength anomalous diffraction
Acta Crystallogr.,Sect.D, 75, 2019
8D1R
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BU of 8d1r by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520
分子名称: 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8D25
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BU of 8d25 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530
分子名称: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8F4A
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BU of 8f4a by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine
分子名称: 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-10
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F55
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BU of 8f55 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614
分子名称: (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F57
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BU of 8f57 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615
分子名称: (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-12
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4W
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BU of 8f4w by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine
分子名称: 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4T
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BU of 8f4t by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Punetha, A, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4Z
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BU of 8f4z by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F58
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BU of 8f58 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616
分子名称: (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-12
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4U
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BU of 8f4u by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine
分子名称: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F51
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BU of 8f51 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8D23
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BU of 8d23 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529
分子名称: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
9BDV
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BU of 9bdv by Molmil
NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA
分子名称: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ...
著者Biswas, T, Shahabi, S, Tsodikov, O.V.
登録日2024-04-12
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024

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件を2024-07-17に公開中

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