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2WOV
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Trypanosoma brucei trypanothione reductase with bound NADP.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-30
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
2WV2
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X-ray structure of CYP51 from the human pathogen Trypanosoma brucei in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M.
登録日2009-10-12
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
2WX2
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X-RAY STRUCTURE OF CYP51 FROM THE HUMAN PATHOGEN TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M.
登録日2009-10-31
公開日2009-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
2WUZ
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X-ray structure of CYP51 from Trypanosoma cruzi in complex with fluconazole in alternative conformation
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE, ...
著者Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M.
登録日2009-10-11
公開日2009-10-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
5QDX
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000484a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
2WOI
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Trypanothione reductase from Trypanosoma brucei
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-24
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
6BU7
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Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
分子名称: 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2017-12-08
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
6BTL
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Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
分子名称: 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2017-12-06
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
4I71
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Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
分子名称: (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
1N2H
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BU of 1n2h by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate
分子名称: ETHANOL, GLYCEROL, MANGANESE (II) ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2G
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BU of 1n2g by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2E
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BU of 1n2e by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2J
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BU of 1n2j by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with pantoate
分子名称: BETA-ALANINE, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2B
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BU of 1n2b by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate, higher occupancy of pantoate and lower occupancy of AMPCPP in subunit A
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2I
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BU of 1n2i by Molmil
Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate
分子名称: ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1MOP
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BU of 1mop by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
分子名称: ETHANOL, GLYCEROL, SULFATE ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-09
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of a Pantothenate Synthetase from M. tuberculosis and its Complexes with Substrates and a Reaction Intermediate
Protein Sci., 12, 2003
4I74
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BU of 4i74 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312 and allosterically inhibited by a Ni2+ ion
分子名称: (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
5QFN
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000324a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QDJ
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000211a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methyl-1,3-thiazol-2-yl)propanamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QEE
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000240a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QEX
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BU of 5qex by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000123a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1IHO
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CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PANTOATE--BETA-ALANINE LIGASE
著者von Delft, F, Lewendon, A, Dhanaraj, V, Blundell, T.L, Abell, C, Smith, A.
登録日2001-04-19
公開日2001-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily.
Structure, 9, 2001
5QDW
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000465a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.212 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QED
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000538a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QEV
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000603b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4-chlorophenyl)-1H-pyrazol-5-amine, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018

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