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1T0F
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BU of 1t0f by Molmil
Crystal Structure of the TnsA/TnsC(504-555) complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MALONIC ACID, ...
Authors:Ronning, D.R, Li, Y, Perez, Z.N, Ross, P.D, Hickman, A.B, Craig, N.L, Dyda, F.
Deposit date:2004-04-08
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The carboxy-terminal portion of TnsC activates the Tn7 transposase through a specific interaction with TnsA.
Embo J., 23, 2004
1DQZ
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BU of 1dqz by Molmil
CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: PROTEIN (ANTIGEN 85-C)
Authors:Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2000-01-05
Release date:2000-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000
1DQY
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BU of 1dqy by Molmil
CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIETHYL PHOSPHONATE, PROTEIN (ANTIGEN 85-C)
Authors:Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2000-01-05
Release date:2000-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000
1VA5
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BU of 1va5 by Molmil
Antigen 85C with octylthioglucoside in active site
Descriptor: Antigen 85-C, octyl 1-thio-beta-D-glucopyranoside
Authors:Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-02-11
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity
J.Biol.Chem., 279, 2004
2A6O
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BU of 2a6o by Molmil
Crystal Structure of the ISHp608 Transposase in Complex with Stem-loop DNA
Descriptor: 5'-D(*CP*CP*CP*CP*TP*AP*GP*CP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*GP*A)-3', ISHp608 Transposase
Authors:Ronning, D.R, Guynet, C, Ton-Hoang, B, Perez, Z.N, Ghirlando, R, Chandler, M, Dyda, F.
Deposit date:2005-07-03
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site sharing and subterminal hairpin recognition in a new class of DNA transposases.
Mol.Cell, 20, 2005
2A6M
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BU of 2a6m by Molmil
Crystal Structure of the ISHp608 Transposase
Descriptor: ISHp608 transposase
Authors:Ronning, D.R, Guynet, C, Ton-Hoang, B, Perez, Z.N, Ghirlando, R, Chandler, M, Dyda, F.
Deposit date:2005-07-03
Release date:2005-10-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Active site sharing and subterminal hairpin recognition in a new class of DNA transposases.
Mol.Cell, 20, 2005
1SFR
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BU of 1sfr by Molmil
Crystal Structure of the Mycobacterium tuberculosis Antigen 85A Protein
Descriptor: Antigen 85-A
Authors:Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-02-20
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity
J.Biol.Chem., 279, 2004
3NM6
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BU of 3nm6 by Molmil
Helicobacter pylori MTAN complexed with adenine and tris
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, ...
Authors:Ronning, D.R, Iacopelli, N.M.
Deposit date:2010-06-21
Release date:2010-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Enzyme-ligand interactions that drive active site rearrangements in the Helicobacter pylori 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
Protein Sci., 19, 2010
3NM5
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BU of 3nm5 by Molmil
Helicobacter pylori MTAN complexed with Formycin A
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase
Authors:Ronning, D.R, Iacopelli, N.M.
Deposit date:2010-06-21
Release date:2010-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme-ligand interactions that drive active site rearrangements in the Helicobacter pylori 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
Protein Sci., 19, 2010
3NM4
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BU of 3nm4 by Molmil
Helicobacter pylori MTAN
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MTA/SAH nucleosidase
Authors:Ronning, D.R, Iacopelli, N.M.
Deposit date:2010-06-21
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzyme-ligand interactions that drive active site rearrangements in the Helicobacter pylori 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
Protein Sci., 19, 2010
4P54
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BU of 4p54 by Molmil
Crystal Structure of the Helicobacter pylori MTAN-D198N mutant with 5'-methylthioadenosine in the active site.
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Aminodeoxyfutalosine nucleosidase, CHLORIDE ION
Authors:Ronning, D.R, Mishra, V.
Deposit date:2014-03-14
Release date:2014-04-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Biochemistry, 51, 2012
4U3C
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BU of 4u3c by Molmil
Docking Site of Maltohexaose in the Mtb GlgE
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-19
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U2Y
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BU of 4u2y by Molmil
Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar
Descriptor: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-08-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U31
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BU of 4u31 by Molmil
Sco GlgEI-V279S in Complex with maltose-C-phosphonate
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ...
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U33
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BU of 4u33 by Molmil
Structure of Mtb GlgE bound to maltose
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U2Z
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BU of 4u2z by Molmil
X-ray crystal structure of an Sco GlgEI-V279S/1,2,2-trifluromaltose complex
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis of 2-deoxy-2,2-difluoro-alpha-maltosyl fluoride and its X-ray structure in complex with Streptomyces coelicolor GlgEI-V279S.
Org.Biomol.Chem., 13, 2015
8UQV
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BU of 8uqv by Molmil
Trehalose Synthase (TreS) of Mycobacterium tuberculosis in complex with 6-TreAz compound
Descriptor: 6-azido-6-deoxy-alpha-D-glucopyranose, CALCIUM ION, Trehalose synthase/amylase TreS, ...
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-10-24
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Targeting Mycobacterium tuberculosis persistence through inhibition of the trehalose catalytic shift
To Be Published
8UZH
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BU of 8uzh by Molmil
SUMO fused Trehalose Synthase (TreS) of Mycobacterium tuberculosis
Descriptor: CALCIUM ION, SUMO fused Trehalose Synthase (TreS),Trehalose synthase/amylase TreS
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-11-15
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 2024
8D6K
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BU of 8d6k by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER
Authors:Jayasinghe, T.J, Ronning, D.R.
Deposit date:2022-06-06
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
2VJV
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BU of 2vjv by Molmil
Crystal structure of the IS608 transposase in complex with left end 26-mer DNA hairpin and a 6-mer DNA representing the left end cleavage site
Descriptor: 5'-D(*DA*DA*DA*DG*DC*DC*DC*DC*DT*DA*DG*DC*DTP*DT *DT*DT*DA*DG*DC*DT*DA*DT*DG*DG*DG*DGP)-3', 5'-D(*DT*DA*DT*DT*DA*DCP)-3', MAGNESIUM ION, ...
Authors:Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
Deposit date:2007-12-13
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
1M55
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BU of 1m55 by Molmil
Catalytic domain of the Adeno Associated Virus type 5 Rep protein
Descriptor: CHLORIDE ION, Rep protein, ZINC ION
Authors:Hickman, A.B, Ronning, D.R, Kotin, R.M, Dyda, F.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural unity among viral origin binding proteins: crystal structure of the nuclease domain of adeno-associated virus Rep.
Mol.Cell, 10, 2002
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
7USK
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BU of 7usk by Molmil
BRD4-BD2 Ligand free
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
Descriptor: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023

 

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