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6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
登録日2018-01-08
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
4YRP
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BU of 4yrp by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
分子名称: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
3N4N
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BU of 3n4n by Molmil
Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one
分子名称: 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3'
著者Takenaka, A, Juan, E.C.M, Shimizu, S.
登録日2010-05-22
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
4YRO
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BU of 4yro by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)
分子名称: 1,2-ETHANEDIOL, 5-bromo-6-methylpyridin-2-amine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
著者Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2015-02-11
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
分子名称: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
分子名称: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2009-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
分子名称: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
著者Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
登録日2002-08-06
公開日2002-12-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
2F67
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Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with BENZO[CD]INDOL-2(1H)-ONE bound
分子名称: BENZO[CD]INDOL-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-11-28
公開日2005-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F2T
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BU of 2f2t by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.7 A resolution with 5-Aminoisoquinoline bound
分子名称: GLYCEROL, ISOQUINOLIN-5-AMINE, Nucleoside 2-deoxyribosyltransferase, ...
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-11-17
公開日2005-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F64
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BU of 2f64 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
分子名称: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-11-28
公開日2005-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F62
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BU of 2f62 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.5 A resolution with (2-ETHYLPHENYL)METHANOL bound
分子名称: (2-ETHYLPHENYL)METHANOL, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-11-28
公開日2005-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F8M
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BU of 2f8m by Molmil
Ribose 5-phosphate isomerase from Plasmodium falciparum
分子名称: PHOSPHATE ION, ribose 5-phosphate isomerase
著者Holmes, M.A, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-12-02
公開日2005-12-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Structure of ribose 5-phosphate isomerase from Plasmodium falciparum.
Acta Crystallogr.,Sect.F, 62, 2006
3TIK
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BU of 3tik by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
分子名称: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51)
著者Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I.
登録日2011-08-20
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
1A7K
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BU of 1a7k by Molmil
GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN A MONOCLINIC CRYSTAL FORM
分子名称: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
著者Kim, H, Hol, W.G.J.
登録日1998-03-16
公開日1998-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Leishmania mexicana glycosomal glyceraldehyde-3-phosphate dehydrogenase in a new crystal form confirms the putative physiological active site structure.
J.Mol.Biol., 278, 1998
3FOC
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BU of 3foc by Molmil
Tryptophanyl-tRNA synthetase from Giardia lamblia
分子名称: GLYCEROL, SULFATE ION, Tryptophanyl-tRNA synthetase
著者Arakaki, T.L, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2008-12-29
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The structure of tryptophanyl-tRNA synthetase from Giardia lamblia reveals divergence from eukaryotic homologs.
J.Struct.Biol., 171, 2010
3I05
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BU of 3i05 by Molmil
Tryptophanyl-tRNA synthetase from Trypanosoma brucei
分子名称: Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
3HV0
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BU of 3hv0 by Molmil
Tryptophanyl-tRNA synthetase from Cryptosporidium parvum
分子名称: TRYPTOPHAN, Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-15
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
3HRK
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BU of 3hrk by Molmil
Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex)
分子名称: CHLORIDE ION, HISTIDYL-ADENOSINE MONOPHOSPHATE, Histidyl-tRNA synthetase
著者Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-09
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs.
J.Mol.Biol., 397, 2010
3GJH
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BU of 3gjh by Molmil
Crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(B7C)P*GP*CP*G)-3', 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
著者Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T.
登録日2009-03-09
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
3I7F
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BU of 3i7f by Molmil
Aspartyl tRNA synthetase from Entamoeba histolytica
分子名称: Aspartyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica.
Mol.Biochem.Parasitol., 169, 2010
3HRI
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BU of 3hri by Molmil
Histidyl-tRNA synthetase (apo) from Trypanosoma brucei
分子名称: Histidyl-tRNA synthetase
著者Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-09
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs.
J.Mol.Biol., 397, 2010
3IAL
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BU of 3ial by Molmil
Giardia lamblia Prolyl-tRNA synthetase in complex with prolyl-adenylate
分子名称: 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, GLYCEROL, Prolyl-tRNA synthetase
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-14
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the prolyl-tRNA synthetase from the eukaryotic pathogen Giardia lamblia.
Acta Crystallogr.,Sect.D, 68, 2012
3HZR
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Tryptophanyl-tRNA synthetase homolog from Entamoeba histolytica
分子名称: Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011

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