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6PPZ
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BU of 6ppz by Molmil
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
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BU of 2r9a by Molmil
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
6ED7
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BU of 6ed7 by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
Descriptor: 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S.
Deposit date:2018-08-08
Release date:2019-08-21
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
To Be Published
6MC8
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BU of 6mc8 by Molmil
Crystal structure of PprA dimer from Deinococcus deserti
Descriptor: DNA repair protein PprA
Authors:Szabla, R, Junop, M.S, Rok, M.
Deposit date:2018-08-30
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of PprA from Deinococcus radiodurans
To Be Published
6MC6
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BU of 6mc6 by Molmil
Crystal structure of PprA filament from Deinococcus radiodurans
Descriptor: DNA repair protein PprA
Authors:Szabla, R, Junop, M.S, Wood, K.
Deposit date:2018-08-30
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Crystal structure of PprA from Deinococcus radiodurans
To Be Published
1ZM0
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BU of 1zm0 by Molmil
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
7RUE
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BU of 7rue by Molmil
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
7RUD
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BU of 7rud by Molmil
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
5KUI
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BU of 5kui by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium.
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUJ
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BU of 5kuj by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium.
Descriptor: Calcium uniporter protein, mitochondrial, MAGNESIUM ION
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUG
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BU of 5kug by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
3Q9D
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BU of 3q9d by Molmil
Crystal Structure of Cpn0803 from C. pneumoniae.
Descriptor: Protein CPn_0803/CP_1068/CPj0803/CpB0832
Authors:Stone, C.B, Sugiman-Marangos, S.N, Junop, M.S, Mahony, J.B.
Deposit date:2011-01-07
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cpn0803 from C. pneumoniae.
To be Published
3RWR
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BU of 3rwr by Molmil
Crystal structure of the human XRCC4-XLF complex
Descriptor: DNA repair protein XRCC4, HEXATANTALUM DODECABROMIDE, Non-homologous end-joining factor 1
Authors:Andres, S.N, Junop, M.S.
Deposit date:2011-05-09
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.943 Å)
Cite:Structure of human XLF-XRCC4: assembly of a functional DNA repair complex
To be Published
4MAL
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BU of 4mal by Molmil
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
4MBQ
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BU of 4mbq by Molmil
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
4DRW
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BU of 4drw by Molmil
Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide
Descriptor: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10/Annexin A2 chimeric protein
Authors:Rezvanpour, A, Lee, T.-W, Junop, M.S, Shaw, G.S.
Deposit date:2012-02-17
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of an asymmetric ternary protein complex provides insight for membrane interaction.
Structure, 20, 2012
4E8Y
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BU of 4e8y by Molmil
Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor
Descriptor: 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, D-beta-D-heptose 7-phosphate kinase, ...
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 (2.6 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
4NOA
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BU of 4noa by Molmil
Truncated minor pilin PilE from Pseudomonas aeruginosa
Descriptor: Type 4 fimbrial biogenesis protein PilE
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-11-19
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of truncated minor pilin PilE from Pseudomonas aeruginosa
To be Published
4E84
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BU of 4e84 by Molmil
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
4NOE
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BU of 4noe by Molmil
Crystal structure of DdrB bound to 30b ssDNA
Descriptor: 5'-D(*TP*TP*GP*CP*GP*CP*TP*TP*GP*CP*GP*CP*TP*TP*GP*CP*GP*CP*TP*TP*GP*CP*GP*CP*TP*TP*GP*CP*GP*CP)-3', CALCIUM ION, Single-stranded DNA-binding protein DdrB
Authors:Sugiman-Marangos, S.N, Weiss, Y.M, Junop, M.S.
Deposit date:2013-11-19
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism for accurate, protein-assisted DNA annealing by Deinococcus radiodurans DdrB.
Proc.Natl.Acad.Sci.USA, 113, 2016
4IPV
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BU of 4ipv by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P65
Descriptor: FimU protein
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-01-10
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Minor pilin FimU controls P. aeruginosa type IV pilus extension/retraction dynamics independently of other minor components
To be Published
4IPU
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BU of 4ipu by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P21
Descriptor: FimU protein
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-01-10
Release date:2014-01-15
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Role of minor pilins in Pseudomonas aeruginosa type IV pilus dynamics
To be Published
4IQZ
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BU of 4iqz by Molmil
The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli
Descriptor: DNA-directed RNA polymerase subunit beta', IODIDE ION, SODIUM ION
Authors:Bhandari, V, Sugiman-Marangos, S.N, Naushad, H.S, Gupta, R.S, Junop, M.S.
Deposit date:2013-01-14
Release date:2013-02-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli
To be Published
4HQB
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BU of 4hqb by Molmil
Crystal structure of DdrB from Deinococcus radiodurans bound to ssDNA
Descriptor: 5'-D(*TP*TP*TP*T)-3', 5'-D(P*TP*TP*TP*TP*T)-3', Single-stranded DNA-binding protein DdrB
Authors:Sugiman-Marangos, S.N, Junop, M.S.
Deposit date:2012-10-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of the DdrB/ssDNA complex from Deinococcus radiodurans reveals a DNA binding surface involving higher-order oligomeric states.
Nucleic Acids Res., 41, 2013
1EA6
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BU of 1ea6 by Molmil
N-terminal 40kDa fragment of NhPMS2 complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PMS1 PROTEIN HOMOLOG 2
Authors:Guarne, A, Junop, M.S, Yang, W.
Deposit date:2001-07-10
Release date:2001-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Function of the N-Terminal 40 kDa Fragment of Human Pms2: A Monomeric Ghl ATPase
Embo J., 20, 2001

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