BRENDA - Enzyme Database show
show all sequences of 4.1.99.12

The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site

Kelly, M.J.; Ball, L.J.; Krieger, C.; Yu, Y.; Fischer, M.; Schiffmann, S.; Schmieder, P.; Kuhne, R.; Bermel, W.; Bacher, A.; Richter, G.; Oschkinat, H.; Proc. Natl. Acad. Sci. USA 98, 13025-13030 (2001)

Data extracted from this reference:

Application
Application
Commentary
Organism
drug development
the enzyme is an attractive target for antibiotics, design of mechanism-based inhibitors
Escherichia coli
Cloned(Commentary)
Commentary
Organism
-
Escherichia coli
expression in Escherichia coli
Methanocaldococcus jannaschii
Molecular Weight [Da]
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
47000
-
-
Escherichia coli
47000
-
-
Methanocaldococcus jannaschii
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
D-ribulose 5-phosphate
Escherichia coli
the enzyme is involved in the pathway of riboflavin biosynthesis
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
?
D-ribulose 5-phosphate
Methanocaldococcus jannaschii
the enzyme is involved in the pathway of riboflavin biosynthesis
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
?
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Escherichia coli
P0A7J0
-
-
Methanocaldococcus jannaschii
-
-
-
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
D-ribulose 5-phosphate
-
676912
Escherichia coli
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
-
676912
Methanocaldococcus jannaschii
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
the enzyme is involved in the pathway of riboflavin biosynthesis
676912
Escherichia coli
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
the enzyme is involved in the pathway of riboflavin biosynthesis
676912
Methanocaldococcus jannaschii
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
Subunits
Subunits
Commentary
Organism
dimer
three-dimensional structure, structure-activity relationship study using NMR spectroscopy, residue-specific isotope labeling, and protein deuteration strategies, solution structure, overview
Escherichia coli
dimer
three-dimensional structure, structure-activity relationship study using NMR spectroscopy, residue-specific isotope labeling, and protein deuteration strategies, solution structure, overview
Methanocaldococcus jannaschii
Application (protein specific)
Application
Commentary
Organism
drug development
the enzyme is an attractive target for antibiotics, design of mechanism-based inhibitors
Escherichia coli
Cloned(Commentary) (protein specific)
Commentary
Organism
-
Escherichia coli
expression in Escherichia coli
Methanocaldococcus jannaschii
Molecular Weight [Da] (protein specific)
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
47000
-
-
Escherichia coli
47000
-
-
Methanocaldococcus jannaschii
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
D-ribulose 5-phosphate
Escherichia coli
the enzyme is involved in the pathway of riboflavin biosynthesis
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
?
D-ribulose 5-phosphate
Methanocaldococcus jannaschii
the enzyme is involved in the pathway of riboflavin biosynthesis
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
?
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
D-ribulose 5-phosphate
-
676912
Escherichia coli
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
-
676912
Methanocaldococcus jannaschii
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
the enzyme is involved in the pathway of riboflavin biosynthesis
676912
Escherichia coli
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
D-ribulose 5-phosphate
the enzyme is involved in the pathway of riboflavin biosynthesis
676912
Methanocaldococcus jannaschii
formate + L-3,4-dihydroxy-2-butanone-4-phosphate
-
-
-
?
Subunits (protein specific)
Subunits
Commentary
Organism
dimer
three-dimensional structure, structure-activity relationship study using NMR spectroscopy, residue-specific isotope labeling, and protein deuteration strategies, solution structure, overview
Escherichia coli
dimer
three-dimensional structure, structure-activity relationship study using NMR spectroscopy, residue-specific isotope labeling, and protein deuteration strategies, solution structure, overview
Methanocaldococcus jannaschii
Other publictions for EC 4.1.99.12
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)
747595
Xu
-
Improvement of the riboflavin ...
Escherichia coli, Escherichia coli K-12 / MG1655
Chin. J. Chem. Engin.
23
1834-1839
2015
-
-
1
-
1
-
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2
-
2
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2
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1
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2
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-
2
-
-
-
-
-
-
-
-
-
-
1
1
-
-
-
748186
Islam
Structural basis for competit ...
no activity in Homo sapiens, Vibrio cholerae serotype O1, Vibrio cholerae serotype O1 ATCC 39315 / El Tor Inaba N16961
J. Biol. Chem.
290
11293-11308
2015
-
-
1
1
9
-
1
-
-
2
-
2
-
10
-
-
1
1
-
-
-
-
4
2
1
-
-
-
1
-
-
-
1
-
-
-
-
1
-
1
9
-
-
1
1
-
-
2
-
2
-
-
-
1
-
-
-
-
4
2
1
-
-
-
1
-
-
-
-
2
2
-
-
-
748490
Fang
Differential protein accumula ...
Fusarium oxysporum f. sp. fragariae
J. Proteomics
108
223-237
2014
-
-
-
-
-
-
-
-
1
1
-
1
-
1
-
-
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-
-
2
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-
1
1
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-
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2
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-
1
1
-
1
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2
-
-
1
1
-
-
-
-
-
-
-
2
-
1
1
-
-
-
748711
Tuan
Riboflavin accumulation and m ...
Lycium chinense
Molecules
19
17141-17153
2014
-
-
1
-
-
-
-
-
-
-
-
1
-
3
-
-
-
-
-
6
-
-
1
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1
-
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1
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6
-
-
1
-
-
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-
-
-
-
-
-
1
1
-
-
-
726585
Singh
The crystal structure reveals ...
Mycobacterium tuberculosis, Mycobacterium tuberculosis H37Ra / ATCC 25177
Acta Crystallogr. Sect. D
69
1633-1644
2013
-
-
1
1
-
-
-
-
-
2
-
2
-
3
-
-
1
-
-
-
-
-
2
1
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
1
-
-
-
-
-
-
-
2
-
2
-
-
-
1
-
-
-
-
2
1
-
-
-
-
1
-
-
-
-
1
1
-
-
-
728745
Li
The crystal structure and bioc ...
Streptococcus pneumoniae, Streptococcus pneumoniae TIGR 4
Protein Expr. Purif.
91
161-168
2013
-
-
1
1
7
-
-
1
-
8
1
2
-
5
-
-
1
-
-
-
1
-
2
2
1
1
-
-
1
1
-
-
-
-
-
-
-
1
-
1
7
-
-
-
-
1
-
8
1
2
-
-
-
1
-
-
1
-
2
2
1
1
-
-
1
1
-
-
-
2
2
-
-
-
727640
Hiltunen
Arabidopsis RIBA proteins: two ...
Arabidopsis thaliana, Arabidopsis thaliana Col-0
Int. J. Mol. Sci.
13
14086-14105
2012
-
-
1
-
-
-
-
-
1
1
2
4
-
7
-
-
1
-
-
6
-
-
8
2
1
-
-
-
1
-
-
-
-
-
-
-
-
2
-
-
-
-
-
-
-
-
2
2
2
4
-
-
-
2
-
12
-
-
8
4
2
-
-
-
2
-
-
-
-
5
10
-
-
-
716058
Singh
Structural basis for pH depend ...
Mycobacterium tuberculosis
J. Struct. Biol.
174
374-384
2011
-
-
1
1
-
-
-
-
-
-
-
-
-
2
-
-
1
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2
1
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1
2
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1
-
1
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1
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-
2
1
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-
1
2
-
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-
-
-
-
-
-
716533
Asai
A key enzyme for flavin synthe ...
Nicotiana benthamiana
Plant J.
62
911-924
2010
-
-
1
-
1
-
-
-
-
-
-
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-
1
-
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1
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1
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1
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1
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1
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1
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-
1
-
-
-
-
1
-
1
-
-
-
1
-
-
-
-
1
1
-
-
-
716877
Kumar
Potential anti-bacterial drug ...
Salmonella enterica subsp. enterica serovar Typhimurium
Proteins
78
3292-3303
2010
-
-
1
1
-
-
-
1
-
3
3
-
-
3
-
-
1
-
-
-
-
-
1
1
1
-
-
-
1
-
-
-
-
-
-
-
-
1
-
1
-
-
-
-
-
1
-
3
3
-
-
-
-
1
-
-
-
-
1
1
1
-
-
-
1
-
-
-
-
-
-
-
-
-
703578
Isarankura-Na-Ayudhya
-
Proteomic profiling of Escheri ...
Escherichia coli, Escherichia coli TG1
Eur. J. Sci. Res.
25
679-688
2009
-
-
-
-
-
-
-
-
-
-
1
-
-
6
-
-
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1
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1
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-
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-
1
1
1
1
1
-
-
690233
Le Trong
Alternative models for two cry ...
Candida albicans
Acta Crystallogr. Sect. D
64
219-220
2008
-
-
-
1
-
-
-
-
-
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-
1
-
1
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1
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1
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1
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1
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-
-
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-
-
-
-
671038
Steinbacher
Metal sites in 3,4-dihydroxy-2 ...
Methanocaldococcus jannaschii
Acta Crystallogr. Sect. D
60
1338-1340
2004
-
-
-
1
1
-
-
-
-
3
-
1
-
1
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-
1
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-
2
1
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-
1
1
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3
-
1
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-
-
-
-
-
2
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
675342
Echt
Potential anti-infective targe ...
Candida albicans
J. Mol. Biol.
341
1085-1096
2004
-
1
1
1
5
-
-
-
-
3
3
1
-
1
-
-
1
1
-
-
1
-
2
2
1
-
-
-
1
-
-
-
-
-
-
-
1
1
-
1
5
-
-
-
-
-
-
3
3
1
-
-
-
1
-
-
1
-
2
2
1
-
-
-
1
-
-
-
-
-
-
-
-
-
674407
Jin
Yeast dihydroxybutanone phosph ...
Saccharomyces cerevisiae
J. Biol. Chem.
278
14698-14703
2003
-
-
1
-
2
-
-
-
4
-
2
2
-
2
-
-
-
-
-
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2
1
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1
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2
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4
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2
2
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-
2
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
674408
Steinbacher
Structure of 3,4-dihydroxy-2-b ...
Methanocaldococcus jannaschii
J. Biol. Chem.
278
42256-42265
2003
-
-
-
-
2
-
-
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-
4
-
1
-
1
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1
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2
1
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2
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4
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1
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2
1
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671958
Liao
Structural definition of the a ...
Magnaporthe grisea
Biochemistry
41
1795-1806
2002
-
-
1
1
-
-
-
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-
5
-
1
-
2
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-
1
-
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2
1
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1
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1
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5
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1
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2
1
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-
-
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-
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674406
Fischer
Biosynthesis of riboflavin in ...
Methanocaldococcus jannaschii
J. Biol. Chem.
277
41410-41416
2002
-
-
1
-
8
-
-
-
-
1
2
1
-
4
-
-
1
1
-
-
1
-
2
1
1
-
-
-
1
-
-
-
-
-
-
-
-
1
-
-
8
-
-
-
-
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1
2
1
-
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1
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1
-
2
1
1
-
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-
1
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-
-
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676912
Kelly
The NMR structure of the 47-kD ...
Escherichia coli, Methanocaldococcus jannaschii
Proc. Natl. Acad. Sci. USA
98
13025-13030
2001
-
1
2
-
-
-
-
-
-
-
2
2
-
3
-
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-
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-
4
2
-
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-
1
2
-
-
-
-
-
-
-
-
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2
2
-
-
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-
-
-
-
-
4
2
-
-
-
-
-
-
-
-
-
-
-
-
-
-
677168
Liao
Crystal structure of 3,4-dihyd ...
Escherichia coli
Structure
9
11-18
2001
-
-
-
1
-
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-
1
-
1
-
3
-
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-
1
-
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2
1
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-
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1
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1
-
1
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2
1
-
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-
-
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-
-
-
-
671037
Liao
Cloning, expression, purificat ...
Magnaporthe grisea
Acta Crystallogr. Sect. D
56
1495-1497
2000
-
-
1
1
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1
-
3
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1
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1
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1
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