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3LX3
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BU of 3lx3 by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS) in complex with xanthopterin
Descriptor: 2-amino-1,5-dihydropteridine-4,6-dione, 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-24
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3LSS
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BU of 3lss by Molmil
Trypanosoma brucei seryl-tRNA synthetase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MALONATE ION, SODIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
3M4P
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BU of 3m4p by Molmil
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) in complex with asparaginyl-adenylate
Descriptor: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparaginyl-tRNA synthetase, putative, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-11
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
3LZE
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BU of 3lze by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3M4Q
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BU of 3m4q by Molmil
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS)
Descriptor: Asparaginyl-tRNA synthetase, putative
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-11
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
3M0N
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BU of 3m0n by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37A catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-03
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3P0H
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BU of 3p0h by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with fisetin, cubic crystal form
Descriptor: 3,7,3',4'-TETRAHYDROXYFLAVONE, Tyrosyl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-09-28
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
3P0J
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BU of 3p0j by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, triclinic crystal form 1
Descriptor: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, SODIUM ION, Tyrosyl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-09-28
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
1ITH
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BU of 1ith by Molmil
STRUCTURE DETERMINATION AND REFINEMENT OF HOMOTETRAMERIC HEMOGLOBIN FROM URECHIS CAUPO AT 2.5 ANGSTROMS RESOLUTION
Descriptor: CYANIDE ION, HEMOGLOBIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Hackert, M, Kolatkar, P, Ernst, S.R, Ogata, C.M, Hendrickson, W.A, Merritt, E.A, Phizackerley, R.P.
Deposit date:1991-12-03
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure determination and refinement of homotetrameric hemoglobin from Urechis caupo at 2.5 A resolution.
Acta Crystallogr.,Sect.B, 48, 1992
1MK5
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BU of 1mk5 by Molmil
Wildtype Core-Streptavidin with Biotin at 1.4A.
Descriptor: BIOTIN, Streptavidin
Authors:Hyre, D.E, Le Trong, I, Merritt, E.A, Green, N.M, Stenkamp, R.E, Stayton, P.S.
Deposit date:2002-08-28
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cooperative hydrogen bond interactions in the streptavidin-biotin system
Protein Sci., 15, 2006
5SWH
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BU of 5swh by Molmil
c-Src V281C kinase domain in complex with Rao-IV-151
Descriptor: (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami de, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Dieter, E.M.
Deposit date:2016-08-08
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
2A0K
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BU of 2a0k by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution
Descriptor: GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-06-16
Release date:2005-07-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2B4R
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BU of 2b4r by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom Resolution reveals intriguing extra electron density in the active site
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-26
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
2B4T
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BU of 2b4t by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom resolution reveals intriguing extra electron density in the active site
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase
Authors:Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-26
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
2CBP
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BU of 2cbp by Molmil
CUCUMBER BASIC PROTEIN, A BLUE COPPER PROTEIN
Descriptor: COPPER (II) ION, CUCUMBER BASIC PROTEIN
Authors:Guss, J.M, Freeman, H.C.
Deposit date:1996-03-16
Release date:1997-04-21
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of a phytocyanin, the basic blue protein from cucumber, refined at 1.8 A resolution.
J.Mol.Biol., 262, 1996
2F67
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BU of 2f67 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with BENZO[CD]INDOL-2(1H)-ONE bound
Descriptor: BENZO[CD]INDOL-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (2-ETHYLPHENYL)METHANOL, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: GLYCEROL, ISOQUINOLIN-5-AMINE, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-17
Release date:2005-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
Descriptor: DESIGNED PROTEIN
Authors:Reichow, S.
Deposit date:2006-03-30
Release date:2007-01-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
5T0P
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BU of 5t0p by Molmil
c-Src kinase domain in complex with Rao-IV-151
Descriptor: (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Dieter, E.M, Merritt, E.A, Maly, D.J.
Deposit date:2016-08-16
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A chemical genetic method for conformation-selective kinase inhibition
To Be Published
5SYS
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BU of 5sys by Molmil
c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor
Descriptor: N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Dieter, E.M, Merritt, E.A, Maly, D.J.
Deposit date:2016-08-11
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
1LT3
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BU of 1lt3 by Molmil
HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1997-04-12
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of heat-labile enterotoxin from Escherichia coli with increased thermostability introduced by an engineered disulfide bond in the A subunit.
Protein Sci., 6, 1997
1LTG
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BU of 1ltg by Molmil
THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT
Descriptor: HEAT-LABILE ENTEROTOXIN
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1995-06-13
Release date:1995-09-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Arg7Lys mutant of heat-labile enterotoxin exhibits great flexibility of active site loop 47-56 of the A subunit.
Biochemistry, 34, 1995
1FDN
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BU of 1fdn by Molmil
REFINED CRYSTAL STRUCTURE OF THE 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDURICI AT 1.84 ANGSTROMS RESOLUTION
Descriptor: FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Duee, E, Fanchon, E, Vicat, J, Sieker, L.C, Meyer, J, Moulis, J-M.
Deposit date:1994-03-31
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Refined crystal structure of the 2[4Fe-4S] ferredoxin from Clostridium acidurici at 1.84 A resolution.
J.Mol.Biol., 243, 1994

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