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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
Descriptor: (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
Authors:Banco, M.T, Ronning, D.R.
Deposit date:2016-06-02
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.399 Å)
Cite: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
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2016-05-18
Release date:2016-11-16
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2016-05-03
Release date:2016-11-16
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-01
Release date:2016-11-23
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ...
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-02
Release date:2016-11-16
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: CACODYLIC ACID, NRAS mRNA, POTASSIUM ION
Authors:Banco, M.T, Ferre-D'Amare, A.R.
Deposit date:2021-11-24
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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
Descriptor: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: (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, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-10-02
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-10-02
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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
Descriptor: 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ...
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-10-02
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-10-03
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ...
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-10-03
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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
Descriptor: (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-09-28
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021

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