BRENDA - Enzyme Database show
show all sequences of 3.4.23.38

Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum

Bhaumik, P.; Horimoto, Y.; Xiao, H.; Miura, T.; Hidaka, K.; Kiso, Y.; Wlodawer, A.; Yada, R.Y.; Gustchina, A.; J. Struct. Biol. 175, 73-84 (2011)

Data extracted from this reference:

Cloned(Commentary)
Commentary
Organism
expression in Escherichia coli
Plasmodium falciparum
Crystallization (Commentary)
Crystallization
Organism
recombinant PMI as apoenzyme and in complex with the potent peptidic inhibitor, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, i. e. KNI-10006, at the resolution of 2.4 and 3.1 A, respectively. The apoenzyme crystallizes in the orthorhombic space group P212121 with two molecules in the asymmetric unit. The KNI-10006 bound enzyme crystallized in the tetragonal space group P43 with four molecules in the asymmetric unit a. In the PMI–KNI-10006 complex, the inhibitors are bound identically to all four enzyme molecules, with the opposite directionality of the main chain of KNI-10006 relative to the direction of the enzyme substrates
Plasmodium falciparum
Inhibitors
Inhibitors
Commentary
Organism
Structure
(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
i.e. KNI-10006, crystallization data
Plasmodium falciparum
Localization
Localization
Commentary
Organism
GeneOntology No.
Textmining
Molecular Weight [Da]
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
37800
-
gel filtration
Plasmodium falciparum
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Plasmodium falciparum
P39898
-
-
Purification (Commentary)
Commentary
Organism
recombinant enzyme
Plasmodium falciparum
Subunits
Subunits
Commentary
Organism
monomer
x * 37800, calculated
Plasmodium falciparum
Cloned(Commentary) (protein specific)
Commentary
Organism
expression in Escherichia coli
Plasmodium falciparum
Crystallization (Commentary) (protein specific)
Crystallization
Organism
recombinant PMI as apoenzyme and in complex with the potent peptidic inhibitor, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, i. e. KNI-10006, at the resolution of 2.4 and 3.1 A, respectively. The apoenzyme crystallizes in the orthorhombic space group P212121 with two molecules in the asymmetric unit. The KNI-10006 bound enzyme crystallized in the tetragonal space group P43 with four molecules in the asymmetric unit a. In the PMI–KNI-10006 complex, the inhibitors are bound identically to all four enzyme molecules, with the opposite directionality of the main chain of KNI-10006 relative to the direction of the enzyme substrates
Plasmodium falciparum
Inhibitors (protein specific)
Inhibitors
Commentary
Organism
Structure
(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
i.e. KNI-10006, crystallization data
Plasmodium falciparum
Localization (protein specific)
Localization
Commentary
Organism
GeneOntology No.
Textmining
Molecular Weight [Da] (protein specific)
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
37800
-
gel filtration
Plasmodium falciparum
Purification (Commentary) (protein specific)
Commentary
Organism
recombinant enzyme
Plasmodium falciparum
Subunits (protein specific)
Subunits
Commentary
Organism
monomer
x * 37800, calculated
Plasmodium falciparum
Other publictions for EC 3.4.23.38
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [°C]
Temperature Range [°C]
Temperature Stability [°C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [°C] (protein specific)
Temperature Range [°C] (protein specific)
Temperature Stability [°C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
718040
Bhaumik
Crystal structures of the free ...
Plasmodium falciparum
J. Struct. Biol.
175
73-84
2011
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696329
Liu
Recombinant plasmepsin 1 from ...
Plasmodium falciparum
Biochemistry
48
4086-99
2009
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1
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8
3
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4
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1
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707169
Moura
Role of Plasmodium falciparum ...
Plasmodium falciparum
Antimicrob. Agents Chemother.
53
4968-4978
2009
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1
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1
1
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-
708121
Friedman
Discovery of plasmepsin inhibi ...
Plasmodium falciparum
ChemMedChem
4
1317-1326
2009
-
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-
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-
14
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1
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1
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14
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14
14
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1
-
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680251
Bonilla
Effects on growth, hemoglobin ...
Plasmodium falciparum
Int. J. Parasitol.
37
317-327
2007
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-
-
-
-
-
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-
1
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2
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1
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682004
Bonilla
Critical roles for the digesti ...
Plasmodium falciparum
Mol. Microbiol.
65
64-75
2007
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-
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3
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-
3
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-
682637
Xiao
Expression and enzymatic chara ...
Plasmodium falciparum
Protein Eng. Des. Sel.
20
625-633
2007
-
-
1
-
-
-
1
-
-
-
-
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-
4
-
1
1
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2
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-
3
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2
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1
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1
2
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1
1
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-
2
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-
-
3
-
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667927
Ersmark
Macrocyclic inhibitors of the ...
Plasmodium falciparum
Bioorg. Med. Chem.
14
2197-2208
2006
-
-
-
-
-
-
4
-
-
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-
3
-
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4
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670126
Ersmark
Plasmepsins as potential targe ...
Plasmodium falciparum
Med. Res. Rev.
26
626-666
2006
-
-
-
-
-
-
29
-
-
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5
-
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29
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29
29
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677552
Hof
Starving the malaria parasite: ...
Plasmodium falciparum
Angew. Chem.
45
2138-2141
2006
-
-
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-
4
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1
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679228
Boss
Achiral, cheap, and potent inh ...
Plasmodium falciparum
ChemMedChem
1
1341-1345
2006
-
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-
13
-
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1
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13
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13
13
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681296
DellAgli
High antiplasmodial activity o ...
Plasmodium falciparum
J. Med. Chem.
49
7440-7449
2006
-
-
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-
11
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3
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2
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1
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10
-
10
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10
11
10
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2
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1
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-
669779
Johansson
Design and synthesis of potent ...
Plasmodium falciparum
J. Med. Chem.
48
4400-4409
2005
-
-
-
-
-
-
17
-
-
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-
3
-
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16
-
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17
16
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648181
Ersmark
Potent inhibitors of the Plasm ...
Plasmodium falciparum
J. Med. Chem.
47
110-122
2004
-
-
-
-
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-
17
-
-
-
-
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-
3
-
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1
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-
15
-
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17
15
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-
1
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669770
Johansson
Design and synthesis of potent ...
Plasmodium falciparum
J. Med. Chem.
47
3353-3366
2004
-
-
-
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-
-
22
-
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3
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21
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22
21
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648183
Dahlgren
New inhibitors of the malaria ...
Plasmodium falciparum
Bioorg. Med. Chem.
11
3423-3437
2003
-
-
-
-
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-
12
-
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2
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3
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12
3
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648186
Noteberg
Design and synthesis of plasme ...
Plasmodium falciparum
J. Med. Chem.
46
734-746
2003
-
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12
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3
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3
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1
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12
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12
12
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3
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1
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648187
Siripurkpong
Active Site Contribution to Sp ...
Plasmodium falciparum
J. Biol. Chem.
277
41009-41013
2002
-
-
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2
1
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1
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1
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1
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2
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1
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1
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1
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1
2
1
1
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-
1
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1
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2
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1
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648182
Berry
Plasmepsins as antimalarial ta ...
Plasmodium falciparum
Curr. Opin. Drug Discov. Devel.
3
624-629
2000
-
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-
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3
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1
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1
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2
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3
2
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1
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648188
Tyas
Naturally-occurring and recomb ...
Plasmodium falciparum
FEBS Lett.
454
210-214
1999
-
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3
10
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3
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5
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9
-
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5
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3
5
10
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5
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9
-
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648185
Moon
Studies on plasmepsins I and I ...
Plasmodium falciparum
Adv. Exp. Med. Biol.
436
397-406
1998
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3
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1
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2
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3
2
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-
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648189
Tyas
Plasmepsins I and II from the ...
Plasmodium falciparum
Adv. Exp. Med. Biol.
436
407-411
1998
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1
-
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3
2
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1
-
1
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4
-
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2
1
1
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3
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1
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3
3
2
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1
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4
-
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2
1
1
-
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648184
Francis
Biosynthesis and maturation of ...
Plasmodium falciparum
J. Biol. Chem.
272
14961-14968
1997
-
-
-
-
-
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2
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1
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2
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1
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1
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2
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1
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1
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1
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648190
Moon
Expression and characterizatio ...
Plasmodium falciparum
Eur. J. Biochem.
244
552-560
1997
-
-
1
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