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1FW6
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BU of 1fw6 by Molmil
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
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BU of 8v2t by Molmil
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
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BU of 8v4j by Molmil
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
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BU of 2fq6 by Molmil
Cystathionine beta-lyase (cbl) from escherichia coli in complex with n-hydrazinocarbonylmethyl-2-trifluoromethyl-benzamide
Descriptor: Cystathionine beta-lyase, PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER
Authors:Junop, M.S.
Deposit date:2006-01-17
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inhibitors of bacterial cystathionine beta-lyase: leads for new antimicrobial agents and probes of enzyme structure and function.
J.Med.Chem., 50, 2007
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
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
2OPT
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BU of 2opt by Molmil
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
8U0G
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BU of 8u0g by Molmil
Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans - Crystal form xMJ7124
Descriptor: DNA damage response protein C
Authors:Szabla, R, Li, M.C, Junop, M.S.
Deposit date:2023-08-29
Release date:2023-09-06
Method:X-RAY DIFFRACTION (4.28 Å)
Cite:Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
To Be Published
8U1J
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BU of 8u1j by Molmil
N-Terminal domain of DNA-Damage Response Protein C (DdrC) from Deinococcus radiodurans - Crystal form xMJ7102
Descriptor: DNA damage response protein C
Authors:Szabla, R, Song, Y, Junop, M.S.
Deposit date:2023-09-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
To Be Published
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
7UDI
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BU of 7udi by Molmil
Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
Descriptor: DNA damage response protein DdrC, SULFATE ION
Authors:Szabla, R, Li, M.C, Junop, M.S.
Deposit date:2022-03-19
Release date:2023-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
To Be Published
3B6A
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BU of 3b6a by Molmil
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
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BU of 3b6c by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with (S)-DNPA
Descriptor: ActII protein, [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
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 (2.3 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
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
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
4NPH
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BU of 4nph by Molmil
Crystal structure of SsaN from Salmonella enterica
Descriptor: Probable secretion system apparatus ATP synthase SsaN
Authors:Sugiman-Marangos, S.N, Zhang, K, Cooper, C.A, Coombes, B.K, Junop, M.S.
Deposit date:2013-11-21
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of SsaN from Salmonella enterica
J.Biol.Chem., 2014
6PPW
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BU of 6ppw by Molmil
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
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BU of 6ppx by Molmil
Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate
Descriptor: D-MALATE, 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
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
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
1H7S
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BU of 1h7s by Molmil
N-terminal 40kDa fragment of human PMS2
Descriptor: PMS1 PROTEIN HOMOLOG 2
Authors:Guarne, A, Junop, M.S, Yang, W.
Deposit date:2001-07-10
Release date:2001-11-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Function of the N-Terminal 40 kDa Fragment of Human Pms2: A Monomeric Ghl ATPase
Embo J., 20, 2001
1H7U
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BU of 1h7u by Molmil
hPMS2-ATPgS
Descriptor: MAGNESIUM ION, MISMATCH REPAIR ENDONUCLEASE PMS2, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Guarne, A, Junop, M.S, Yang, W.
Deposit date:2001-07-10
Release date:2001-11-27
Last modified:2024-05-08
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
2GMW
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BU of 2gmw by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
Descriptor: D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
Authors:Zhang, K, DeLeon, G, Wright, G.D, Junop, M.S.
Deposit date:2006-04-07
Release date:2007-04-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
2GQN
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BU of 2gqn by Molmil
Cystathionine Beta-Lyase (CBL) from Escherichia Coli in complex with N-Hydrazinocarbonylmethyl-2-Nitro-Benzamide
Descriptor: (5-HYDROXY-6-METHYL-4-((2-(2-(2-NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Cystathionine beta-lyase
Authors:Summerfield, R, Junop, M.S.
Deposit date:2006-04-21
Release date:2007-03-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitors of Bacterial Cystathionine beta-Lyase: Leads for New Antimicrobial Agents and Probes of Enzyme Structure and Function.
J.Med.Chem., 50, 2007

 

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