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6B3T
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BU of 6b3t by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b
分子名称: 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole, COENZYME A, N-acetyltransferase Eis, ...
著者Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Ngo, H.X, Tsodikov, O.V.
登録日2017-09-24
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
6BZZ
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BU of 6bzz by Molmil
Crystal structure of halogenase PltM in complex with partially bound FAD
分子名称: CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM
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2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
6BZN
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BU of 6bzn by Molmil
Crystal structure of halogenase PltM
分子名称: CALCIUM ION, GLYCEROL, Halogenase PltM
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 (1.8 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
6BZI
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BU of 6bzi by Molmil
Crystal structure of halogenase PltM in complex with ethyl mercury and mercury
分子名称: CALCIUM ION, ETHYL MERCURY ION, GLYCEROL, ...
著者Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-12-24
公開日2019-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 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
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
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
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
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
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
3K6Z
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BU of 3k6z by Molmil
Crystal structure of Rv3671c protease, inactive form
分子名称: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
著者Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
登録日2009-10-10
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
3I6B
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BU of 3i6b by Molmil
Crystal structure of YrbI lacking the last 8 residues, in complex with Kdo and inorganic phosphate
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
著者Biswas, T, Tsodikov, O.V.
登録日2009-07-06
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
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
3K6Y
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BU of 3k6y by Molmil
Crystal structure of Rv3671c protease from M. tuberculosis, active form
分子名称: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
著者Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
登録日2009-10-10
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
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
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
6P3T
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BU of 6p3t by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449
分子名称: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2019-05-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
6P3V
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BU of 6p3v by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416
分子名称: DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2019-05-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
6P3U
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BU of 6p3u by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335
分子名称: 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2019-05-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
5JW2
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BU of 5jw2 by Molmil
Crystal structure of mithramycin analogue MTM SA-Phe in complex with a 10-mer DNA AGGGATCCCT
分子名称: DNA (5'-D(*AP*GP*GP*GP*AP*TP*CP*CP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Phe, ...
著者Hou, C, Rohr, J, Tsodikov, O.V.
登録日2016-05-11
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
5JVT
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BU of 5jvt by Molmil
Crystal structure of the DNA binding domain of transcription factor FLI1 in complex with an 11-mer DNA GACCGGAAGTG
分子名称: DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), Friend leukemia integration 1 transcription factor, ...
著者Hou, C, Tsodikov, O.V.
登録日2016-05-11
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016

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