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5FUY
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BU of 5fuy by Molmil
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP
Descriptor: PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ...
Authors:Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D.
Deposit date:2016-01-31
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
4N09
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BU of 4n09 by Molmil
Structure of Trypanosoma brucei brucei adenosine kinase in complex with adenosine and AMPPNP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Timm, J, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2013-10-01
Release date:2014-01-15
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of adenosine kinase from Trypanosoma brucei brucei.
Acta Crystallogr F Struct Biol Commun, 70, 2014
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
4DL8
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BU of 4dl8 by Molmil
Crystal structure of Trypanosoma brucei dUTPase with dUMP, planar [AlF3-OPO3] transition state analogue, Mg2+, and Na+
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ALUMINUM FLUORIDE, Deoxyuridine triphosphatase, ...
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
4DK4
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BU of 4dk4 by Molmil
Crystal Structure of Trypanosoma brucei dUTPase with dUpNp, Ca2+ and Na+
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE, CALCIUM ION, Deoxyuridine triphosphatase, ...
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-03
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
4DLC
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BU of 4dlc by Molmil
Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ...
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
4DKB
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BU of 4dkb by Molmil
Crystal Structure of Trypanosoma brucei dUTPase with dUpNp and Ca2+
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE, CALCIUM ION, Deoxyuridine triphosphatase
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-03
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
4DK2
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BU of 4dk2 by Molmil
Crystal Structure of Open Trypanosoma brucei dUTPase
Descriptor: Deoxyuridine triphosphatase
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-03
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
4JZB
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BU of 4jzb by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+
Descriptor: 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.
Deposit date:2013-04-02
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4N08
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BU of 4n08 by Molmil
Structure of Trypanosoma brucei brucei adenosine kinase (apo)
Descriptor: Adenosine kinase
Authors:Timm, J, Wilson, K.S.
Deposit date:2013-10-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of adenosine kinase from Trypanosoma brucei brucei.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4K10
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BU of 4k10 by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM and Mg2+
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-04
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-03
Release date:2014-03-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
5NSM
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BU of 5nsm by Molmil
unliganded Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTD
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BU of 5ntd by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTH
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BU of 5nth by Molmil
Structure of Leucyl aminopeptidase from Leishmania major in complex with actinonin
Descriptor: ACTINONIN, BICARBONATE ION, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NSQ
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BU of 5nsq by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Actinonin
Descriptor: ACTINONIN, Aminopeptidase, putative, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTG
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BU of 5ntg by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma cruzi in complex with citrate
Descriptor: Aminopeptidase, CITRIC ACID, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
5NSK
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BU of 5nsk by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative
Authors:Timm, J, Wilson, K.S.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTF
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BU of 5ntf by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma cruzi
Descriptor: Aminopeptidase, SULFATE ION
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
3WCB
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BU of 3wcb by Molmil
The complex structure of TcSQS with ligand, BPH1237
Descriptor: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCA
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BU of 3wca by Molmil
The complex structure of TcSQS with ligand, FSPP
Descriptor: Farnesyltransferase, putative, MAGNESIUM ION, ...
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2013-05-26
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCH
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BU of 3wch by Molmil
The complex structure of HsSQS wtih ligand BPH1237
Descriptor: Squalene synthase, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCD
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BU of 3wcd by Molmil
The complex structure of HsSQS wtih ligand, WC-9
Descriptor: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014

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