8V2T
 
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | | Descriptor: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | Authors: | Junop, M.S, Brown, C, Szabla, R. | | Deposit date: | 2023-11-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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8V4J
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | Authors: | Junop, M.S, Brown, C, Szabla, R. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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1FW6
 | | CRYSTAL STRUCTURE OF A TAQ MUTS-DNA-ADP TERNARY COMPLEX | | Descriptor: | 5'-D(*GP*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*TP*CP*GP*TP*C)-3', 5'-D(*GP*GP*AP*CP*GP*AP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Junop, M.S, Obmolova, G, Rausch, K, Hsieh, P, Yang, W. | | Deposit date: | 2000-09-21 | | Release date: | 2001-02-19 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Composite active site of an ABC ATPase: MutS uses ATP to verify mismatch recognition and authorize DNA repair.
Mol.Cell, 7, 2001
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2FQ6
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1FU1
 | | CRYSTAL STRUCTURE OF HUMAN XRCC4 | | Descriptor: | ACETIC ACID, DNA REPAIR PROTEIN XRCC4 | | Authors: | Junop, M, Modesti, M, Guarne, A, Gellert, M, Yang, W. | | Deposit date: | 2000-09-13 | | Release date: | 2000-12-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the Xrcc4 DNA repair protein and implications for end joining.
EMBO J., 19, 2000
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6MC8
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5KUE
 | | Human SeMet incorporated I141M/L146M mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Calcium uniporter protein, ... | | Authors: | Mok, C.Y.M, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
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4IPV
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4IPU
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2I22
 | | Crystal structure of Escherichia coli phosphoheptose isomerase in complex with reaction substrate sedoheptulose 7-phosphate | | Descriptor: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Phosphoheptose isomerase | | Authors: | Blakely, K, Zhang, K, DeLeon, G, Wright, G, Junop, M. | | Deposit date: | 2006-08-15 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants
J.Biol.Chem., 283, 2008
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2I2W
 | | Crystal Structure of Escherichia Coli Phosphoheptose Isomerase | | Descriptor: | GLYCEROL, Phosphoheptose isomerase | | Authors: | DeLeon, G, Blakely, K, Zhang, K, Wright, G, Junop, M. | | Deposit date: | 2006-08-17 | | Release date: | 2007-08-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants
J.Biol.Chem., 283, 2008
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7RUD
 | | DAHP synthase complex with trifluoropyruvate oxime | | Descriptor: | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive | | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | | Deposit date: | 2021-08-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
Acs Infect Dis., 7, 2021
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7RUE
 | | DAHP synthase complexed with trifluoropyruvate semicarbazone | | Descriptor: | (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | | Deposit date: | 2021-08-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
Acs Infect Dis., 7, 2021
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3EPU
 | | Crystal Structure of STM2138, a novel virulence chaperone in Salmonella | | Descriptor: | STM2138 Virulence Chaperone | | Authors: | Zhang, K, Andres, S.N, Hannemann, M, Coombes, B, Junop, M. | | Deposit date: | 2008-09-30 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis and quantitative proteomic
interactome of a novel virulence chaperone in Salmonella
To be Published
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6O5L
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8U0G
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8U1J
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6NEO
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2ANQ
 | | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | | Deposit date: | 2005-08-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
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2ANO
 | | Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | | Descriptor: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | | Deposit date: | 2005-08-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
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4MBQ
 | | TPR3 of FimV from P. aeruginosa (PAO1) | | Descriptor: | Motility protein FimV | | Authors: | Nguyen, Y, Zhang, K, Daniel-Ivad, M, Robinson, H, Wolfram, F, Sugiman-Marangos, S.N, Junop, M.S, Burrows, L.L, Howell, P.L. | | Deposit date: | 2013-08-19 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Crystal structure of TPR2 from FimV
To be Published
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4MAL
 | | TPR3 of FimV from P. aeruginosa (PAO1) | | Descriptor: | Motility protein FimV | | Authors: | Nguyen, Y, Zhang, K, Daniel-Ivad, M, Sugiman-Marangos, S.N, Junop, M.S, Burrows, L.L, Howell, P.L. | | Deposit date: | 2013-08-16 | | Release date: | 2014-08-20 | | Last modified: | 2016-02-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of TPR2 from FimV
To be Published
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6PPX
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6PPZ
 | | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc) | | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ... | | Authors: | Berti, P.J, Junop, M.S. | | Deposit date: | 2019-07-08 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
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7UDI
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