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3TWD
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BU of 3twd by Molmil
glmuC1 in complex with an antibacterial inhibitor
Descriptor: 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid, Bifunctional protein glmU, SULFATE ION
Authors:Lahiri, S, Otterbein, L.
Deposit date:2011-09-21
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:In Vitro Validation of Acetyltransferase Activity of GlmU as an Antibacterial Target in Haemophilus influenzae.
J.Biol.Chem., 286, 2011
4J3D
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BU of 4j3d by Molmil
Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor
Descriptor: N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Lahiri, S.
Deposit date:2013-02-05
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
3FM9
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BU of 3fm9 by Molmil
Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Finci, L, Lahiri, S, Peisach, E, Allen, K.N.
Deposit date:2008-12-19
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
4COT
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BU of 4cot by Molmil
The importance of the Abn2 calcium cluster in the endo-1,5- arabinanase activity from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXTRACELLULAR ENDO-ALPHA-(1->5)-L-ARABINANASE 2, NICKEL (II) ION
Authors:McVey, C.E, Ferreira, M.J, Correia, B, Lahiri, S, deSanctis, D, Carrondo, M.A, Lindley, P.F, de Sa-Nogueira, I, Soares, C.M, Bento, I.
Deposit date:2014-01-31
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Importance of the Abn2 Calcium Cluster in the Endo-1,5-Arabinanase Activity from Bacillus Subtilis.
J.Biol.Inorg.Chem., 19, 2014
5VFD
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BU of 5vfd by Molmil
Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
Descriptor: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
Authors:Olivier, N.B, Lahiri, S.
Deposit date:2017-04-07
Release date:2017-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Descriptor: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
Authors:Lahiri, S.
Deposit date:2013-08-21
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4WXD
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BU of 4wxd by Molmil
Crystal structure of Mycobacterium tuberculosis OGT-R37K
Descriptor: GLYCEROL, Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M.
Deposit date:2014-11-13
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA.
Biochem.J., 473, 2016
4WX9
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BU of 4wx9 by Molmil
Crystal structure of Mycobacterium tuberculosis OGT in complex with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3'), GLYCEROL, ...
Authors:Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M.
Deposit date:2014-11-13
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA.
Biochem.J., 473, 2016
4WXC
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BU of 4wxc by Molmil
Crystal structure of Mycobacterium tuberculosis OGT-Y139F
Descriptor: 1,2-ETHANEDIOL, Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M.
Deposit date:2014-11-13
Release date:2015-11-04
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA.
Biochem.J., 473, 2016
4WZ4
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BU of 4wz4 by Molmil
Crystal structure of P. aeruginosa AmpC
Descriptor: Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4WZ5
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BU of 4wz5 by Molmil
Crystal structure of P. aeruginosa OXA10
Descriptor: Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
Acs Infect Dis., 1, 2015
4WYY
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BU of 4wyy by Molmil
Crystal Structure of P. aeruginosa AmpC
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4ZYE
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BU of 4zye by Molmil
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase
Descriptor: GLYCEROL, Methylated-DNA--protein-cysteine methyltransferase, NITRATE ION
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015
4ZYD
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BU of 4zyd by Molmil
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase in complex with modified DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3'), Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015
4ZYH
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BU of 4zyh by Molmil
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase C119L variant
Descriptor: Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015
4ZYG
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BU of 4zyg by Molmil
Crystal structure of methylated Sulfolobus solfataricus O6-methylguanine methyltransferase
Descriptor: Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015

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