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PDB: 84 results
5WOO
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BU of 5woo by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with Myristic acid (C14:0) to 1.78 Angstrom resolution
Descriptor: EDD domain protein, DegV family, GLYCEROL, ...
Authors:Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-08-02
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
7RKP
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BU of 7rkp by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733
Descriptor: (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7SG3
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BU of 7sg3 by Molmil
The X-ray crystal structure of the Staphylococcus aureus Fatty Acid Kinase B1 mutant A121I-A158L to 2.35 Angstrom resolution (Open form chain A, Palmitate bound)
Descriptor: Fatty Acid Kinase B1, PALMITIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Rock, C.O, White, S.W.
Deposit date:2021-10-04
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
7SCL
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BU of 7scl by Molmil
The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase B1 (FakB1) mutant R173A in complex with Palmitate to 1.60 Angstrom resolution
Descriptor: Fatty Acid Kinase B1, GLYCEROL, PALMITIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2021-09-28
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
7RZK
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BU of 7rzk by Molmil
Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.9 Angstrom resolution - SAD data
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, Fatty Acid Kinase A, ...
Authors:Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2021-08-27
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.9 Angstrom resolution - SAD data
To Be Published
7RM7
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BU of 7rm7 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 Angstrom resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
Authors:Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2021-07-26
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.025 Å)
Cite:The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 Angstrom resolution
To Be Published
6TGT
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BU of 6tgt by Molmil
The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
Descriptor: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
Authors:Cuypers, M.G, Romao, C.V, Mitchell, E.P, McSweeney, S.
Deposit date:2019-11-18
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
To Be Published
6TB5
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BU of 6tb5 by Molmil
The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
Descriptor: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
Authors:Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P.
Deposit date:2019-10-31
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
To Be Published
5AI3
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BU of 5ai3 by Molmil
X-ray structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.02A resolution at 295K in a quartz capillary
Descriptor: CADMIUM ION, RUBREDOXIN
Authors:Cuypers, M.G, Mitchell, E.P.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
Descriptor: CADMIUM ION, RUBREDOXIN, deuterium(1+)
Authors:Cuypers, M.G, Mossou, E, Mason, S.A.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
5JLT
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BU of 5jlt by Molmil
The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif
Descriptor: DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA
Authors:Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W.
Deposit date:2016-04-27
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA.
Nucleic Acids Res., 46, 2018
7UMR
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BU of 7umr by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-1 (trans-form)
Descriptor: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-04-07
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7UUH
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BU of 7uuh by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form)
Descriptor: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-04-28
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7SNB
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BU of 7snb by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and ADP to 1.105 Angstrom resolution
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Fatty Acid Kinase A, ...
Authors:Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and ADP to 1.105 Angstrom resolution
To Be Published
7UQ1
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BU of 7uq1 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and a single Mg ion at the dinuclear binding site
Descriptor: ADENOSINE MONOPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
Authors:Cuypers, M.G, Subramanian, C, Seetharaman, J, Rock, C.O, White, S.W.
Deposit date:2022-04-18
Release date:2022-05-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
6ALW
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BU of 6alw by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 Angstrom resolution
Descriptor: (12R)-12-methyltetradecanoic acid, (12S)-12-methyltetradecanoic acid, EDD domain protein, ...
Authors:Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-08-08
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
6B9I
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BU of 6b9i by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 14-Methylhexadecanoic Acid (Anteiso C17:0) to 1.93 Angstrom resolution
Descriptor: (14S)-14-methylhexadecanoic acid, Fatty acid Kinase (Fak) B1, GLYCEROL, ...
Authors:Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-10-10
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
4AR5
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BU of 4ar5 by Molmil
X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution.
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2012-12-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR6
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BU of 4ar6 by Molmil
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2012-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
6CNG
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BU of 6cng by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
Descriptor: ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ...
Authors:Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2018-03-08
Release date:2019-07-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
4AR4
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BU of 4ar4 by Molmil
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.
Descriptor: FE (III) ION, Rubredoxin, deuterium(1+), ...
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2013-01-16
Last modified:2024-06-19
Method:NEUTRON DIFFRACTION (1.381 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
Descriptor: FE (III) ION, Rubredoxin, deuterium(1+), ...
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2013-01-16
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (1.05 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
6DKE
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BU of 6dke by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with palmitic acid (C16:0) to 1.76 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID
Authors:Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2018-05-29
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with palmitic acid (C16:0) to 1.76 Angstrom resolution
To Be Published
6DJ6
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BU of 6dj6 by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with cis-oleic acid to 1.9 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, OLEIC ACID, ...
Authors:Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2018-05-24
Release date:2019-05-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein (SPR1019) loaded with cis-oleic acid to 1.9 Angstrom resolution
To Be Published
4CE8
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BU of 4ce8 by Molmil
Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
Authors:Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T.
Deposit date:2013-11-10
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium
To be Published

 

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