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
|
|
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
| 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
|
|
2FQ6
| |
6NEO
| |
5C3Y
| Structure of human ribokinase crystallized with AMPPNP | Descriptor: | AMP PHOSPHORAMIDATE, Ribokinase, SODIUM ION | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | Deposit date: | 2015-06-17 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human ribokinase crystallized with AMPPNP To Be Published
|
|
7UDI
| |
4E84
| Crystal Structure of Burkholderia cenocepacia HldA | Descriptor: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ... | Authors: | Lee, T.-W, Junop, M.S. | Deposit date: | 2012-03-19 | Release date: | 2012-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
|
|
4E8Z
| Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | Deposit date: | 2012-03-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
|
|
4E8W
| Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | Deposit date: | 2012-03-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8654 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
|
|
2OPT
| Crystal Structure of Apo ActR from Streptomyces coelicolor. | Descriptor: | ActII protein | Authors: | Willems, A.R, Junop, M.S. | Deposit date: | 2007-01-30 | Release date: | 2008-02-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA. J.Mol.Biol., 376, 2008
|
|
3B6A
| Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin | Descriptor: | 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein | Authors: | Willems, A.R, Junop, M.S. | Deposit date: | 2007-10-28 | Release date: | 2008-02-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA. J.Mol.Biol., 376, 2008
|
|
3B6C
| |
8U0G
| |
8U1J
| |
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
| 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
|
|
1ZM0
| Crystal Structure of the Carboxyl Terminal PH Domain of Pleckstrin To 2.1 Angstroms | Descriptor: | Pleckstrin | Authors: | Jackson, S.G, Zhang, Y, Zhang, K, Summerfield, R, Haslam, R.J, Junop, M.S. | Deposit date: | 2005-05-09 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the carboxy-terminal PH domain of pleckstrin at 2.1 Angstroms. Acta Crystallogr.,Sect.D, 62, 2006
|
|
4EXW
| |
4HQB
| |
6O5L
| |
6PPW
| Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | Descriptor: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | Authors: | Rosanally, A.Z, Junop, M.S, Berti, P.J. | Deposit date: | 2019-07-08 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
|
|
6PPX
| |
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
|
|
2R9A
| Crystal structure of human XLF | Descriptor: | Non-homologous end-joining factor 1 | Authors: | Andres, S.N, Junop, M.S. | Deposit date: | 2007-09-12 | Release date: | 2008-01-01 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Human XLF: A Twist in Nonhomologous DNA End-Joining Mol.Cell, 28
|
|