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4WF1
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BU of 4wf1 by Molmil
Crystal structure of the E. coli ribosome bound to negamycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C.
Deposit date:2014-09-11
Release date:2014-11-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
3BSW
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BU of 3bsw by Molmil
PglD-citrate complex, from Campylobacter jejuni NCTC 11168
Descriptor: Acetyltransferase, CITRIC ACID
Authors:Olivier, N.B, Imperiali, B.
Deposit date:2007-12-26
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure and catalytic mechanism of PglD from Campylobacter jejuni.
J.Biol.Chem., 283, 2008
3BSY
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BU of 3bsy by Molmil
PglD from Campylobacter jejuni, NCTC 11168, in complex with acetyl coenzyme A
Descriptor: ACETYL COENZYME *A, Acetyltransferase
Authors:Olivier, N.B, Imperiali, B.
Deposit date:2007-12-26
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and catalytic mechanism of PglD from Campylobacter jejuni.
J.Biol.Chem., 283, 2008
3BSS
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BU of 3bss by Molmil
PglD from Campylobacter jejuni, NCTC 11168, with native substrate
Descriptor: Acetyltransferase, UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose
Authors:Olivier, N.B, Imperiali, B.
Deposit date:2007-12-26
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and catalytic mechanism of PglD from Campylobacter jejuni.
J.Biol.Chem., 283, 2008
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
4XWA
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BU of 4xwa by Molmil
TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine
Descriptor: 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2015-01-28
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1
Bioorg Med Chem Lett, 2015
4GFD
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BU of 4gfd by Molmil
Thymidylate kinase (TMK) from S. Aureus in complex with TK-666
Descriptor: 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B, Martinez-Botella, G, Keating, T.
Deposit date:2012-08-03
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound.
Acs Chem.Biol., 7, 2012
4HDC
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BU of 4hdc by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)
Descriptor: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2012-10-02
Release date:2012-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
3FFQ
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BU of 3ffq by Molmil
HCN2I 443-640 apo-state
Descriptor: BROMIDE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Olivier, N.B.
Deposit date:2008-12-04
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mapping the structure and conformational movements of proteins with transition metal ion FRET.
Nat.Methods, 6, 2009
4OZE
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BU of 4oze by Molmil
A.aolicus LpxC in complex with native product
Descriptor: CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ...
Authors:Olivier, N.B.
Deposit date:2014-02-15
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mechanistic insight from the crystal structure of A.aolicus LpxC in the presence of product
To Be Published
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
Descriptor: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Olivier, N.B, Lahiri, S.D, Prince, D.B.
Deposit date:2014-01-22
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
4QG7
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BU of 4qg7 by Molmil
S.aureus TMK in complex with a potent inhibitor compound 18, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QGA
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BU of 4qga by Molmil
S.aureus TMK in complex with potent inhibitor compound 19, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QGH
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BU of 4qgh by Molmil
S.aureus TMK in complex with potent inhibitor compound 47
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QGF
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BU of 4qgf by Molmil
S.aureus TMK in complex with the potent inhibitor compound 38, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{(1R)-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]PROPYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QGG
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BU of 4qgg by Molmil
TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
3GSL
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BU of 3gsl by Molmil
Crystal structure of PSD-95 tandem PDZ domains 1 and 2
Descriptor: Disks large homolog 4
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-03-27
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biomimetic divalent ligands for the acute disruption of synaptic AMPAR stabilization.
Nat.Chem.Biol., 7, 2011
3JXT
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BU of 3jxt by Molmil
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
Descriptor: ACETATE ION, Disks large homolog 3, Voltage-dependent calcium channel gamma-2 subunit
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-09-21
Release date:2010-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caged mono- and divalent ligands for light-assisted disruption of PDZ domain-mediated interactions.
J.Am.Chem.Soc., 135, 2013
3NU8
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BU of 3nu8 by Molmil
WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with the Internal Aldimine
Descriptor: Aminotransferase WbpE
Authors:Larkin, A, Olivier, N.B, Imperiali, B.
Deposit date:2010-07-06
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly
Biochemistry, 49, 2010
3NUB
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BU of 3nub by Molmil
WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with Product as the External Aldimine
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid, Aminotransferase WbpE, GLYCEROL, ...
Authors:Larkin, A, Olivier, N.B, Imperiali, B.
Deposit date:2010-07-06
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly
Biochemistry, 49, 2010
3NU7
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BU of 3nu7 by Molmil
WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with the Cofactor PMP
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase WbpE, GLYCEROL
Authors:Larkin, A, Olivier, N.B, Imperiali, B.
Deposit date:2010-07-06
Release date:2010-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly
Biochemistry, 49, 2010
1Q5O
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BU of 1q5o by Molmil
HCN2J 443-645 in the presence of cAMP, selenomethionine derivative
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E.
Deposit date:2003-08-08
Release date:2003-09-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:STRUCTURAL BASIS FOR MODULATION AND AGONIST SPECIFICITY OF HCN PACEMAKER CHANNELS
Nature, 425, 2003
1Q43
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BU of 1q43 by Molmil
HCN2I 443-640 in the presence of cAMP, selenomethionine derivative
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E.
Deposit date:2003-08-01
Release date:2003-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for modulation and agonist specificity of HCN pacemaker channels
Nature, 425, 2003
1Q3E
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BU of 1q3e by Molmil
HCN2J 443-645 in the presence of cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E.
Deposit date:2003-07-29
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for modulation and agonist specificity of HCN pacemaker channels
Nature, 425, 2003
4GSY
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BU of 4gsy by Molmil
Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor.
Descriptor: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid, Thymidylate kinase
Authors:Larsen, N.A, Olivier, N.B.
Deposit date:2012-08-28
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012

 

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