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6GG5
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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
6GG6
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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
6GG3
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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
6GG4
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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
5LOT
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BU of 5lot by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetyl-CoA.
Descriptor: 3-ketoacyl-CoA thiolase-like protein, ACETYL COENZYME *A
Authors:Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
Deposit date:2016-08-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
5LNQ
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BU of 5lnq by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-CoA.
Descriptor: 3-ketoacyl-CoA thiolase-like protein, ACETOACETYL-COENZYME A
Authors:Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
Deposit date:2016-08-06
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
6QU5
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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
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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
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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
5IZC
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BU of 5izc by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor F032
Descriptor: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pozzi, C, Landi, G, Di Pisa, F, Mangani, S.
Deposit date:2016-03-25
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
6JAF
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BU of 6jaf by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with PPi (pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase, PYROPHOSPHATE 2-
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
6JAE
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BU of 6jae by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase, PHOSPHATE ION
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
6J9X
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BU of 6j9x by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at Thr12(pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
2PTW
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BU of 2ptw by Molmil
Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV
Descriptor: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PTZ
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BU of 2ptz by Molmil
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-out conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PU0
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BU of 2pu0 by Molmil
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-in conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PTY
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BU of 2pty by Molmil
Crystal Structure of the T. brucei enolase complexed with PEP
Descriptor: 1,2-ETHANEDIOL, Enolase, PHOSPHOENOLPYRUVATE, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PTX
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BU of 2ptx by Molmil
Crystal Structure of the T. brucei enolase complexed with sulphate in closed conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PU1
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BU of 2pu1 by Molmil
Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH)
Descriptor: 1,2-ETHANEDIOL, Enolase, ZINC ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
5AB4
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BU of 5ab4 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-I.
Descriptor: SCP2-THIOLASE LIKE PROTEIN
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB7
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BU of 5ab7 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with malonyl-CoA.
Descriptor: MALONYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-02
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB5
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BU of 5ab5 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-II.
Descriptor: SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
1N1E
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BU of 1n1e by Molmil
Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase complexed with DHAP and NAD
Descriptor: ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT, glycerol-3-phosphate dehydrogenase
Authors:Choe, J, Hol, W.G.J.
Deposit date:2002-10-17
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Leishmania mexicana Glycerol-3-phosphate Dehydrogenase Showed Conformational Changes Upon Binding a Bi-substrate Adduct
J.Mol.Biol., 320, 2003
5AB6
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BU of 5ab6 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with acetoacetyl-CoA.
Descriptor: ACETOACETYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
1OEP
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BU of 1oep by Molmil
Structure of Trypanosoma brucei enolase reveals the inhibitory divalent metal site
Descriptor: 1,2-ETHANEDIOL, ENOLASE, SULFATE ION, ...
Authors:Da Silva giotto, M.T, Navarro, M.V.A.S, Garratt, R.C, Rigden, D.J.
Deposit date:2003-03-28
Release date:2003-04-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of Trypanosoma Brucei Enolase: Visualisation of the Inhibitory Metal Binding Site III and Potential as Target for Selective, Irreversible Inhibition
J.Mol.Biol., 331, 2003
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