7SF4
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![BU of 7sf4 by Molmil](/molmil-images/mine/7sf4) | 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
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7SCF
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![BU of 7scf by Molmil](/molmil-images/mine/7scf) | 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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7SEY
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![BU of 7sey by Molmil](/molmil-images/mine/7sey) | 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
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2VJV
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![BU of 2vjv by Molmil](/molmil-images/mine/2vjv) | 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
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2VIC
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![BU of 2vic by Molmil](/molmil-images/mine/2vic) | CRYSTAL STRUCTURE OF THE ISHP608 TRANSPOSASE IN COMPLEX with Left end 26- mer DNA and manganese | Descriptor: | 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', MANGANESE (II) ION, TRANSPOSASE ORFA | Authors: | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | Deposit date: | 2007-11-29 | Release date: | 2008-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection. Cell(Cambridge,Mass.), 132, 2008
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2VJU
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![BU of 2vju by Molmil](/molmil-images/mine/2vju) | Crystal structure of the IS608 transposase in complex with the complete Right end 35-mer DNA and manganese | Descriptor: | MANGANESE (II) ION, RIGHT END 35-MER, TRANSPOSASE ORFA | 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 (2.4 Å) | Cite: | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection. Cell(Cambridge,Mass.), 132, 2008
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8FFF
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![BU of 8fff by Molmil](/molmil-images/mine/8fff) | |
8GLB
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![BU of 8glb by Molmil](/molmil-images/mine/8glb) | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-21 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GMI
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![BU of 8gmi by Molmil](/molmil-images/mine/8gmi) | |
8GI7
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![BU of 8gi7 by Molmil](/molmil-images/mine/8gi7) | |
8GM9
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![BU of 8gm9 by Molmil](/molmil-images/mine/8gm9) | Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GLL
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![BU of 8gll by Molmil](/molmil-images/mine/8gll) | R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Pathirage, R, Ronning, D, Petit, C. | Deposit date: | 2023-03-22 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GMF
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![BU of 8gmf by Molmil](/molmil-images/mine/8gmf) | |
8GMK
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![BU of 8gmk by Molmil](/molmil-images/mine/8gmk) | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | Authors: | Pathirage, R, Ronning, D, Yamsek, M. | Deposit date: | 2023-03-26 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GIW
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![BU of 8giw by Molmil](/molmil-images/mine/8giw) | |
1MTO
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![BU of 1mto by Molmil](/molmil-images/mine/1mto) | Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase | Authors: | Riley-Lovingshimer, M.R, Ronning, D.R, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2002-09-21 | Release date: | 2002-12-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reversible Ligand-Induced Dissociation of a Tryptophan-Shift Mutant of Phosphofructokinase
from Bacillus stearothermophilus Biochemistry, 41, 2002
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5KB3
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![BU of 5kb3 by Molmil](/molmil-images/mine/5kb3) | 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
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5VSJ
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![BU of 5vsj by Molmil](/molmil-images/mine/5vsj) | Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid | Authors: | Petit, C, Ronning, D.R. | Deposit date: | 2017-05-11 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.456 Å) | Cite: | Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S. Org. Biomol. Chem., 15, 2017
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5JPC
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![BU of 5jpc by Molmil](/molmil-images/mine/5jpc) | 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
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1NKT
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![BU of 1nkt by Molmil](/molmil-images/mine/1nkt) | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-01-03 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase Proc.Natl.Acad.Sci.USA, 100, 2003
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5K1Z
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![BU of 5k1z by Molmil](/molmil-images/mine/5k1z) | 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
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5KWJ
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![BU of 5kwj by Molmil](/molmil-images/mine/5kwj) | M.tb Ag85C modified at C209 by amino-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
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1NL3
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![BU of 1nl3 by Molmil](/molmil-images/mine/1nl3) | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM | Descriptor: | PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-01-06 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase Proc.Natl.Acad.Sci.USA, 100, 2003
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5KWI
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![BU of 5kwi by Molmil](/molmil-images/mine/5kwi) | M.tb Ag85C modified at C209 by adamantyl-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
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1M55
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![BU of 1m55 by Molmil](/molmil-images/mine/1m55) | 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
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