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5KB3
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BU of 5kb3 by Molmil
1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION
著者Banco, M.T, Ronning, D.R.
登録日2016-06-02
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5K1Z
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BU of 5k1z by Molmil
Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2016-05-18
公開日2016-11-16
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5JPC
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BU of 5jpc by Molmil
Joint X-ray/neutron structure of MTAN complex with Formycin A
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2016-05-03
公開日2016-11-16
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5CCD
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BU of 5ccd by Molmil
Joint X-ray/neutron structure of MTAN D198N complex with SAH
分子名称: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2015-07-01
公開日2016-11-23
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5CCE
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BU of 5cce by Molmil
Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine
分子名称: 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ...
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2015-07-02
公開日2016-11-16
最終更新日2023-09-27
実験手法NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7SXP
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BU of 7sxp by Molmil
G-quadruplex structure formed in the NRAS mRNA with a G8U substitution
分子名称: CACODYLIC ACID, NRAS mRNA, POTASSIUM ION
著者Banco, M.T, Ferre-D'Amare, A.R.
登録日2021-11-24
公開日2023-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Investigating the NRAS 5' UTR as a target for small molecules.
Cell Chem Biol, 30, 2023
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
分子名称: Conserved protein, Mycothiol, ZINC ION
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-15
公開日2023-04-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
分子名称: CHLORIDE ION, Mycothiol-S-transferase
著者Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
登録日2023-01-24
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8FI8
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BU of 8fi8 by Molmil
Structure of Lettuce C20T bound to DFAME
分子名称: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FHV
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BU of 8fhv by Molmil
Structure of Lettuce aptamer bound to DFHBI-1T with thallium I ions
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FHZ
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BU of 8fhz by Molmil
Structure of Lettuce aptamer bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FI2
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BU of 8fi2 by Molmil
Structure of Lettuce C20T bound to DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FI1
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BU of 8fi1 by Molmil
Structure of Lettuce C20G bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FI0
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BU of 8fi0 by Molmil
Structure of Lettuce aptamer bound to DFAME
分子名称: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FI7
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BU of 8fi7 by Molmil
Structure of Lettuce C20T bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FHX
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BU of 8fhx by Molmil
Structure of Lettuce aptamer bound to DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
7SEX
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BU of 7sex by Molmil
M. tb EgtD in complex with TGX221
分子名称: 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-02
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SEY
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BU of 7sey by Molmil
M. tb EgtD in complex with SGH
分子名称: 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-02
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SEW
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BU of 7sew by Molmil
M. tb EgtD in complex with HD6
分子名称: 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-02
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SF5
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BU of 7sf5 by Molmil
M. tb EgtD in complex with HD3
分子名称: Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-03
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SF4
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BU of 7sf4 by Molmil
M. tb EgtD in complex with imatinib
分子名称: 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-03
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SCF
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BU of 7scf by Molmil
M. tb EgtD in complex with HD2
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-09-28
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021

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