8V2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v2t by Molmil](/molmil-images/mine/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
|
|
8V4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v4j by Molmil](/molmil-images/mine/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
|
|
1FW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fw6 by Molmil](/molmil-images/mine/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
|
|
2FQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fq6 by Molmil](/molmil-images/mine/2fq6) | |
1FU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fu1 by Molmil](/molmil-images/mine/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
|
|
6MC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mc8 by Molmil](/molmil-images/mine/6mc8) | |
5KUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kue by Molmil](/molmil-images/mine/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
|
|
4IPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ipv by Molmil](/molmil-images/mine/4ipv) | |
4IPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ipu by Molmil](/molmil-images/mine/4ipu) | |
2I22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i22 by Molmil](/molmil-images/mine/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
|
|
2I2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i2w by Molmil](/molmil-images/mine/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
|
|
7RUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rud by Molmil](/molmil-images/mine/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
|
|
7RUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rue by Molmil](/molmil-images/mine/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
|
|
3EPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3epu by Molmil](/molmil-images/mine/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
|
|
6O5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o5l by Molmil](/molmil-images/mine/6o5l) | |
8U0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u0g by Molmil](/molmil-images/mine/8u0g) | |
8U1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u1j by Molmil](/molmil-images/mine/8u1j) | |
6NEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6neo by Molmil](/molmil-images/mine/6neo) | |
2ANQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2anq by Molmil](/molmil-images/mine/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
|
|
2ANO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ano by Molmil](/molmil-images/mine/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
|
|
4MBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbq by Molmil](/molmil-images/mine/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
|
|
4MAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mal by Molmil](/molmil-images/mine/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
|
|
6PPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppx by Molmil](/molmil-images/mine/6ppx) | |
6PPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppz by Molmil](/molmil-images/mine/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
|
|
7UDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7udi by Molmil](/molmil-images/mine/7udi) | |