Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3F5M
DownloadVisualize
BU of 3f5m by Molmil
Crystal Structure of ATP-Bound Phosphofructokinase from Trypanosoma brucei
Descriptor: 6-phospho-1-fructokinase (ATP-dependent phosphofructokinase), ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:McNae, I.W, Martinez-Oyanedel, J, Keillor, J.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2008-11-04
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of ATP-bound phosphofructokinase from Trypanosoma brucei reveals conformational transitions different from those of other phosphofructokinases.
J.Mol.Biol., 385, 2009
1T3P
DownloadVisualize
BU of 1t3p by Molmil
Half-sandwich arene ruthenium(II)-enzyme complex
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:McNae, I.W, Fishburne, K, Habtemariam, A, Hunter, T.M, Melchart, M, Wang, F, Walkinshaw, M.D, Sadler, P.J.
Deposit date:2004-04-27
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Half-sandwich arene ruthenium(II)-enzyme complex
CHEM.COMMUN.(CAMB.), 16, 2004
6QU5
DownloadVisualize
BU of 6qu5 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12
Descriptor: 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
6QU3
DownloadVisualize
BU of 6qu3 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360
Descriptor: 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
6QU4
DownloadVisualize
BU of 6qu4 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405
Descriptor: 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
4N1Q
DownloadVisualize
BU of 4n1q by Molmil
Structure of Cyclophilin A in complex with cyclohexanecarboxamide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, cyclohexanecarboxamide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1N
DownloadVisualize
BU of 4n1n by Molmil
Structure of Cyclophilin A in complex with Benzamide.
Descriptor: BENZAMIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1P
DownloadVisualize
BU of 4n1p by Molmil
Structure of Cyclophilin A in complex with Picolinamide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1S
DownloadVisualize
BU of 4n1s by Molmil
Structure of Cyclophilin A in complex with benzohydrazide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, benzohydrazide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1O
DownloadVisualize
BU of 4n1o by Molmil
Structure of Cyclophilin A in complex with Saccharin.
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1R
DownloadVisualize
BU of 4n1r by Molmil
Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1M
DownloadVisualize
BU of 4n1m by Molmil
Structure of Cyclophilin A in complex with GlyPro.
Descriptor: GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Patterson, A, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
2H9J
DownloadVisualize
BU of 2h9j by Molmil
Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam
Descriptor: 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II), CHLORIDE ION, Lysozyme C, ...
Authors:McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D.
Deposit date:2006-06-10
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Configurations of nickel-cyclam antiviral complexes and protein recognition.
Chemistry, 13, 2007
2H9K
DownloadVisualize
BU of 2h9k by Molmil
Structure of Hen egg white lysozyme soaked with Ni-cyclam
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE), ...
Authors:McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D.
Deposit date:2006-06-10
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Configurations of nickel-cyclam antiviral complexes and protein recognition.
Chemistry, 13, 2007
6SY7
DownloadVisualize
BU of 6sy7 by Molmil
Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP.
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ...
Authors:McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D.
Deposit date:2019-09-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis.
Febs J., 287, 2020
3FJP
DownloadVisualize
BU of 3fjp by Molmil
Apo structure of Biotin protein ligase from Aquifex aeolicus
Descriptor: Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
Authors:McNae, I.W, Tron, C.M, Baxter, R.L, Walkinshaw, M.D, Campopiano, D.J.
Deposit date:2008-12-15
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
6GG5
DownloadVisualize
BU of 6gg5 by Molmil
Crystal structure of M2 PYK in complex with Tryptophan.
Descriptor: PHOSPHATE ION, POTASSIUM ION, Pyruvate kinase PKM, ...
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
6GG3
DownloadVisualize
BU of 6gg3 by Molmil
Crystal structure of M2 PYK in complex with Alanine.
Descriptor: ALANINE, PHOSPHATE ION, Pyruvate kinase PKM
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2019-09-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem.J., 475, 2018
6GG6
DownloadVisualize
BU of 6gg6 by Molmil
Crystal structure of M2 PYK in complex with Serine.
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
6GG4
DownloadVisualize
BU of 6gg4 by Molmil
Crystal structure of M2 PYK in complex with Phenyalanine.
Descriptor: PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
3PJ8
DownloadVisualize
BU of 3pj8 by Molmil
Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine.
Descriptor: (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol, Cell division protein kinase 2
Authors:McNae, I.W, Jorda, R, Havlicek, L, Strnad, M, Voller, J, Walkinshaw, M.D, Krystof, V.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine: Evaluation of a Novel Selective Inhibitor of Cyclin-Dependent Kinases with Antiproliferative Activity.
J.Med.Chem., 54, 2011
5LUD
DownloadVisualize
BU of 5lud by Molmil
Structure of Cyclophilin A in complex with 2,3-Diaminopyridine
Descriptor: Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine
Authors:McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D.
Deposit date:2016-09-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
5ES3
DownloadVisualize
BU of 5es3 by Molmil
Co-crystal structure of LDH liganded with oxamate
Descriptor: L-lactate dehydrogenase A chain, OXAMIC ACID
Authors:Nowicki, M.W, Wear, M.A, McNae, I.W, Blackburn, E.A.
Deposit date:2015-11-16
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Streamlined, Automated Protocol for the Production of Milligram Quantities of Untagged Recombinant Rat Lactate Dehydrogenase A Using AKTAxpressTM.
Plos One, 10, 2015
2QIJ
DownloadVisualize
BU of 2qij by Molmil
Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data.
Descriptor: Core antigen
Authors:Tan, W.S, McNae, I.W, Ho, K.L, Walkinshaw, M.D.
Deposit date:2007-07-04
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (8.9 Å)
Cite:Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension.
Acta Crystallogr.,Sect.F, 63, 2007
2HIG
DownloadVisualize
BU of 2hig by Molmil
Crystal Structure of Phosphofructokinase apoenzyme from Trypanosoma brucei.
Descriptor: 6-phospho-1-fructokinase, SODIUM ION
Authors:Martinez-Oyanedel, J, McNae, I.W, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2006-06-29
Release date:2007-02-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The First Crystal Structure of Phosphofructokinase from a Eukaryote: Trypanosoma brucei.
J.Mol.Biol., 366, 2007

 

123>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon