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PDBsum entry 1gtb

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Glutathione transferase PDB id
1gtb
Jmol
Contents
Protein chain
218 a.a. *
Ligands
PZQ
Waters ×80
* Residue conservation analysis
PDB id:
1gtb
Name: Glutathione transferase
Title: Crystal structures of a schistosomal drug and vaccine target: glutathione s-transferase from schistosoma japonica and its complex with the leading antischistosomal drug praziquantel
Structure: Glutathione s-transferase. Chain: a. Engineered: yes. Other_details: 26kd
Source: Schistosoma japonicum. Organism_taxid: 6182. Expressed in: pharmacia pgex-3x expression vector.
Biol. unit: Dimer (from PQS)
Resolution:
2.60Å     R-factor:   0.212    
Authors: M.A.Mctigue,J.A.Tainer
Key ref: M.A.McTigue et al. (1995). Crystal structures of a schistosomal drug and vaccine target: glutathione S-transferase from Schistosoma japonica and its complex with the leading antischistosomal drug praziquantel. J Mol Biol, 246, 21-27. PubMed id: 7853399
Date:
01-Dec-94     Release date:   01-Dec-95    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P08515  (GST26_SCHJA) -  Glutathione S-transferase class-mu 26 kDa isozyme
Seq:
Struc:
218 a.a.
218 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.5.1.18  - Glutathione transferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: RX + glutathione = HX + R-S-glutathione
RX
+
glutathione
Bound ligand (Het Group name = PZQ)
matches with 43.00% similarity
= HX
+ R-S-glutathione
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     metabolic process   1 term 
  Biochemical function     transferase activity     2 terms  

 

 
    reference    
 
 
J Mol Biol 246:21-27 (1995)
PubMed id: 7853399  
 
 
Crystal structures of a schistosomal drug and vaccine target: glutathione S-transferase from Schistosoma japonica and its complex with the leading antischistosomal drug praziquantel.
M.A.McTigue, D.R.Williams, J.A.Tainer.
 
  ABSTRACT  
 
Glutathione S-transferase (GST), an essential detoxification enzyme in parasitic helminths, is a major vaccine target and an attractive drug target against schistosomiasis and other helminthic diseases. Crystal structures of the 26 kDa GST from the helminth Schistosoma japonica (SjGST) have been determined for the unligated enzyme (resolution = 2.4 A, R-factor = 19.7%) and for the enzyme bound to the leading antischistosomal drug praziquantel (resolution = 2.6 A, R-factor = 21.2%). The protein, recombinantly expressed using the Pharamacia PGEX-3X vector for production of GST fusion proteins, contains all 218 residues of SjGST and an additional 13 residues at the C terminus. The structure of unligated SjGST shows that the glutathione binding site pre-exists unchanged in the ligand-free enzyme and is conserved between parasitic and the mammalian class mu enzymes. At therapeutic concentrations the leading antischistosomal drug praziquantel (PZQ) binds one drug per enzyme homodimer in the dimer interface groove adjoining the two catalytic sites. This establishes a protein target for PZQ, identifies the GST non-substrate ligand transport site, and implicates PZQ in steric inhibition of SjGST catalytic and transport for large ligands. Thus, increased expression or mutagenesis of SjGST by the parasite may confer resistance to PZQ. Differences in the xenobiotic binding region between parasitic and mammalian GSTs reveal a distinct substrate repertoire for SjGST and, together with the newly identified PZQ binding site, provide the basis for design of novel antischistosomal drugs. Due to the widespread use expression systems based on SjGST fusions, the atomic structure of SjGST should also provide an important tool for phasing fusion protein structures by molecular replacement.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
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Glutathione transferases: a structural perspective.
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20677314 A.Dömling, and K.Khoury (2010).
Praziquantel and schistosomiasis.
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The CKK domain (DUF1781) binds microtubules and defines the CAMSAP/ssp4 family of animal proteins.
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19501598 J.J.Perry, R.M.Harris, D.Moiani, A.J.Olson, and J.A.Tainer (2009).
p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
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PDB code: 3hvc
19562376 L.Srinivasan, N.Mathew, and K.Muthuswamy (2009).
In vitro antifilarial activity of glutathione S-transferase inhibitors.
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19554083 T.Nogi, D.Zhang, J.D.Chan, and J.S.Marchant (2009).
A novel biological activity of praziquantel requiring voltage-operated ca channel Beta subunits: subversion of flatworm regenerative polarity.
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18704231 B.J.Wilkins, K.A.Daggett, and T.A.Cropp (2008).
Peptide mass fingerprinting using isotopically encoded photo-crosslinking amino acids.
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18703268 N.Kinsley, Y.Sayed, S.Mosebi, R.N.Armstrong, and H.W.Dirr (2008).
Characterization of the binding of 8-anilinonaphthalene sulfonate to rat class Mu GST M1-1.
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18691867 P.Kapoli, I.A.Axarli, D.Platis, M.Fragoulaki, M.Paine, J.Hemingway, J.Vontas, and N.E.Labrou (2008).
Engineering sensitive glutathione transferase for the detection of xenobiotics.
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Staphylococcus aureus primase has higher initiation specificity, interacts with single-stranded DNA stronger, but is less stimulated by its helicase than Escherichia coli primase.
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18836188 S.Conn, C.Curtin, A.Bézier, C.Franco, and W.Zhang (2008).
Purification, molecular cloning, and characterization of glutathione S-transferases (GSTs) from pigmented Vitis vinifera L. cell suspension cultures as putative anthocyanin transport proteins.
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18818915 Z.W.Xu, T.Zhang, C.J.Song, Q.Li, R.Zhuang, K.Yang, A.G.Yang, and B.Q.Jin (2008).
Application of sandwich ELISA for detecting tag fusion proteins in high throughput.
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17341443 H.Tallima, and R.El Ridi (2007).
Praziquantel binds Schistosoma mansoni adult worm actin.
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17594497 O.A.Asojo, K.Homma, M.Sedlacek, M.Ngamelue, G.N.Goud, B.Zhan, V.Deumic, O.Asojo, and P.J.Hotez (2007).
X-ray structures of Na-GST-1 and Na-GST-2 two glutathione S-transferase from the human hookworm Necator americanus.
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PDB codes: 2on5 2on7
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Polymer-driven crystallization.
  Protein Sci, 16, 2542-2551.
PDB codes: 2qar 2qb0 2qb1
17574027 X.Tang, S.Orlicky, Z.Lin, A.Willems, D.Neculai, D.Ceccarelli, F.Mercurio, B.H.Shilton, F.Sicheri, and M.Tyers (2007).
Suprafacial orientation of the SCFCdc4 dimer accommodates multiple geometries for substrate ubiquitination.
  Cell, 129, 1165-1176.
PDB codes: 2p63 2p64
16523523 G.E.Sroga, and J.S.Dordick (2006).
Controlled hierarchical assembly of switchable DNA-multiprotein complexes.
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16597202 M.J.Doenhoff, and L.Pica-Mattoccia (2006).
Praziquantel for the treatment of schistosomiasis: its use for control in areas with endemic disease and prospects for drug resistance.
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16893883 M.R.Kaadige, and D.E.Ayer (2006).
The polybasic region that follows the plant homeodomain zinc finger 1 of Pf1 is necessary and sufficient for specific phosphoinositide binding.
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16977663 M.Taki, A.Kuno, S.Matoba, Y.Kobayashi, J.Futami, H.Murakami, H.Suga, K.Taira, T.Hasegawa, and M.Sisido (2006).
Leucyl/Phenylalanyl-tRNA-protein transferase-mediated chemoenzymatic coupling of N-terminal Arg/Lys units in post-translationally processed proteins with non-natural amino acids.
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X-ray structure of glutathione S-transferase from Schistosoma japonicum in a new crystal form reveals flexibility of the substrate-binding site.
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PDB code: 1y6e
16150710 D.Matsuoka, and S.Tokutomi (2005).
Blue light-regulated molecular switch of Ser/Thr kinase in phototropin.
  Proc Natl Acad Sci U S A, 102, 13337-13342.  
15758069 J.Yamauchi, J.R.Chan, Y.Miyamoto, G.Tsujimoto, and E.M.Shooter (2005).
The neurotrophin-3 receptor TrkC directly phosphorylates and activates the nucleotide exchange factor Dbs to enhance Schwann cell migration.
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15632113 K.Bilecen, U.H.Ozturk, A.D.Duru, T.Sutlu, M.V.Petoukhov, D.I.Svergun, M.H.Koch, U.O.Sezerman, I.Cakmak, and Z.Sayers (2005).
Triticum durum metallothionein. Isolation of the gene and structural characterization of the protein using solution scattering and molecular modeling.
  J Biol Chem, 280, 13701-13711.  
15640152 M.Perbandt, J.Höppner, C.Betzel, R.D.Walter, and E.Liebau (2005).
Structure of the major cytosolic glutathione S-transferase from the parasitic nematode Onchocerca volvulus.
  J Biol Chem, 280, 12630-12636.
PDB codes: 1tu7 1tu8
15923225 M.V.Petoukhov, and D.I.Svergun (2005).
Global rigid body modeling of macromolecular complexes against small-angle scattering data.
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15864673 S.T.Nathan, N.Mathew, M.Kalyanasundaram, and K.Balaraman (2005).
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14871296 M.Harboe, A.K.Das, D.Mitra, G.Ulvund, S.Ahmad, R.E.Harkness, D.Das, A.S.Mustafa, and H.G.Wiker (2004).
Immunodominant B-cell epitope in the Mce1A mammalian cell entry protein of Mycobacterium tuberculosis cross-reacting with glutathione S-transferase.
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12972411 M.Perbandt, C.Burmeister, R.D.Walter, C.Betzel, and E.Liebau (2004).
Native and inhibited structure of a Mu class-related glutathione S-transferase from Plasmodium falciparum.
  J Biol Chem, 279, 1336-1342.
PDB codes: 1pa3 1q4j
12824478 D.R.Smyth, M.K.Mrozkiewicz, W.J.McGrath, P.Listwan, and B.Kobe (2003).
Crystal structures of fusion proteins with large-affinity tags.
  Protein Sci, 12, 1313-1322.  
12596270 R.M.Cardoso, D.S.Daniels, C.M.Bruns, and J.A.Tainer (2003).
Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum.
  Proteins, 51, 137-146.
PDB codes: 1m99 1m9a 1m9b
12808050 Y.Wang, and E.A.Elion (2003).
Nuclear export and plasma membrane recruitment of the Ste5 scaffold are coordinated with oligomerization and association with signal transduction components.
  Mol Biol Cell, 14, 2543-2558.  
12191475 A.C.Dar, and F.Sicheri (2002).
X-ray crystal structure and functional analysis of vaccinia virus K3L reveals molecular determinants for PKR subversion and substrate recognition.
  Mol Cell, 10, 295-305.
PDB code: 1luz
11739726 C.J.Li, and M.L.DePamphilis (2002).
Mammalian Orc1 protein is selectively released from chromatin and ubiquitinated during the S-to-M transition in the cell division cycle.
  Mol Cell Biol, 22, 105-116.  
12107165 D.G.Lawton, C.Longstaff, B.A.Wallace, J.Hill, S.E.Leary, R.W.Titball, and K.A.Brown (2002).
Interactions of the type III secretion pathway proteins LcrV and LcrG from Yersinia pestis are mediated by coiled-coil domains.
  J Biol Chem, 277, 38714-38722.  
12154230 J.W.Chin, A.B.Martin, D.S.King, L.Wang, and P.G.Schultz (2002).
Addition of a photocrosslinking amino acid to the genetic code of Escherichiacoli.
  Proc Natl Acad Sci U S A, 99, 11020-11024.  
12496082 M.V.Petoukhov, N.A.Eady, K.A.Brown, and D.I.Svergun (2002).
Addition of missing loops and domains to protein models by x-ray solution scattering.
  Biophys J, 83, 3113-3125.  
11604524 A.J.Oakley, T.Harnnoi, R.Udomsinprasert, K.Jirajaroenrat, A.J.Ketterman, and M.C.Wilce (2001).
The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
  Protein Sci, 10, 2176-2185.
PDB codes: 1jlv 1jlw
11705953 A.Sommer, M.Nimtz, H.S.Conradt, N.Brattig, K.Boettcher, P.Fischer, R.D.Walter, and E.Liebau (2001).
Structural analysis and antibody response to the extracellular glutathione S-transferases from Onchocerca volvulus.
  Infect Immun, 69, 7718-7728.  
11488926 E.Ortiz-Salmerón, Z.Yassin, M.J.Clemente-Jimenez, F.J.Las Heras-Vazquez, F.Rodriguez-Vico, C.Barón, and L.García-Fuentes (2001).
Thermodynamic analysis of the binding of glutathione to glutathione S-transferase over a range of temperatures.
  Eur J Biochem, 268, 4307-4314.  
11264588 Y.H.Han, Y.H.Chung, T.Y.Kim, S.J.Hong, J.D.Choi, and Y.J.Chung (2001).
Crystallization of Clonorchis sinensis 26 kDa glutathione S-transferase and its fusion proteins with peptides of different lengths.
  Acta Crystallogr D Biol Crystallogr, 57, 579-581.  
11050175 A.Chadli, I.Bouhouche, W.Sullivan, B.Stensgard, N.McMahon, M.G.Catelli, and D.O.Toft (2000).
Dimerization and N-terminal domain proximity underlie the function of the molecular chaperone heat shock protein 90.
  Proc Natl Acad Sci U S A, 97, 12524-12529.  
11015213 J.A.Hornby, J.K.Luo, J.M.Stevens, L.A.Wallace, W.Kaplan, R.N.Armstrong, and H.W.Dirr (2000).
Equilibrium folding of dimeric class mu glutathione transferases involves a stable monomeric intermediate.
  Biochemistry, 39, 12336-12344.  
10681528 J.Wang, S.Bauman, and R.F.Colman (2000).
Probing subunit interactions in alpha class rat liver glutathione S-transferase with the photoaffinity label glutathionyl S-[4-(succinimidyl)benzophenone].
  J Biol Chem, 275, 5493-5503.  
  10752606 M.Schlumpberger, H.Wille, M.A.Baldwin, D.A.Butler, I.Herskowitz, and S.B.Prusiner (2000).
The prion domain of yeast Ure2p induces autocatalytic formation of amyloid fibers by a recombinant fusion protein.
  Protein Sci, 9, 440-451.  
10569948 H.W.Dirr, and L.A.Wallace (1999).
Role of the C-terminal helix 9 in the stability and ligandin function of class alpha glutathione transferase A1-1.
  Biochemistry, 38, 15631-15640.  
  10548067 J.U.Flanagan, J.Rossjohn, M.W.Parker, P.G.Board, and G.Chelvanayagam (1999).
Mutagenic analysis of conserved arginine residues in and around the novel sulfate binding pocket of the human Theta class glutathione transferase T2-2.
  Protein Sci, 8, 2205-2212.  
10451545 L.Stella, M.Nicotra, G.Ricci, N.Rosato, and E.E.Di Iorio (1999).
Molecular dynamics simulations of human glutathione transferase P1-1: analysis of the induced-fit mechanism by GSH binding.
  Proteins, 37, 1-9.  
10489459 S.Kim, D.W.Shin, D.H.Kim, and S.H.Eom (1999).
Crystallization and preliminary X-ray crystallographic studies of the D2 region of the skeletal muscle ryanodine receptor.
  Acta Crystallogr D Biol Crystallogr, 55, 1601-1603.  
  10631982 S.Ware, J.P.Donahue, J.Hawiger, and W.F.Anderson (1999).
Structure of the fibrinogen gamma-chain integrin binding and factor XIIIa cross-linking sites obtained through carrier protein driven crystallization.
  Protein Sci, 8, 2663-2671.
PDB code: 1dug
10468562 X.G.Gao, E.Maldonado, R.Pérez-Montfort, G.Garza-Ramos, M.T.de Gómez-Puyou, A.Gómez-Puyou, and A.Rodríguez-Romero (1999).
Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane.
  Proc Natl Acad Sci U S A, 96, 10062-10067.
PDB code: 1ci1
9665696 A.J.Oakley, M.Lo Bello, G.Ricci, G.Federici, and M.W.Parker (1998).
Evidence for an induced-fit mechanism operating in pi class glutathione transferases.
  Biochemistry, 37, 9912-9917.
PDB codes: 14gs 16gs
9765310 D.E.Klein, A.Lee, D.W.Frank, M.S.Marks, and M.A.Lemmon (1998).
The pleckstrin homology domains of dynamin isoforms require oligomerization for high affinity phosphoinositide binding.
  J Biol Chem, 273, 27725-27733.  
  9499402 E.Stein, A.A.Lane, D.P.Cerretti, H.O.Schoecklmann, A.D.Schroff, R.L.Van Etten, and T.O.Daniel (1998).
Eph receptors discriminate specific ligand oligomers to determine alternative signaling complexes, attachment, and assembly responses.
  Genes Dev, 12, 667-678.  
9761916 J.M.Lally, R.H.Newman, P.P.Knowles, S.Islam, A.I.Coffer, M.Parker, and P.S.Freemont (1998).
Crystallization of an intact GST-estrogen receptor hormone binding domain fusion protein.
  Acta Crystallogr D Biol Crystallogr, 54, 423-426.  
9829702 J.U.Flanagan, J.Rossjohn, M.W.Parker, P.G.Board, and G.Chelvanayagam (1998).
A homology model for the human theta-class glutathione transferase T1-1.
  Proteins, 33, 444-454.  
9761928 L.N.Patskovska, A.A.Fedorov, Y.V.Patskovsky, S.C.Almo, and I.Listowsky (1998).
Expression, crystallization and preliminary X-ray analysis of ligand-free human glutathione S-transferase M2-2.
  Acta Crystallogr D Biol Crystallogr, 54, 458-460.  
9790682 M.P.Patricelli, H.A.Lashuel, D.K.Giang, J.W.Kelly, and B.F.Cravatt (1998).
Comparative characterization of a wild type and transmembrane domain-deleted fatty acid amide hydrolase: identification of the transmembrane domain as a site for oligomerization.
  Biochemistry, 37, 15177-15187.  
16904406 P.G.Fallon (1998).
Schistosome resistance to praziquantel.
  Drug Resist Updat, 1, 236-241.  
9761841 W.J.McKinstry, A.J.Oakley, J.Rossjohn, D.Verger, K.L.Tan, P.G.Board, and M.W.Parker (1998).
Preliminary X-ray crystallographic studies of a newly defined human theta-class glutathione transferase.
  Acta Crystallogr D Biol Crystallogr, 54, 148-150.  
9668035 Z.Zhang, P.Devarajan, A.L.Dorfman, and J.S.Morrow (1998).
Structure of the ankyrin-binding domain of alpha-Na,K-ATPase.
  J Biol Chem, 273, 18681-18684.
PDB code: 1bg5
9012673 A.J.Oakley, J.Rossjohn, M.Lo Bello, A.M.Caccuri, G.Federici, and M.W.Parker (1997).
The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate.
  Biochemistry, 36, 576-585.
PDB codes: 2gss 3gss
9037717 G.Chelvanayagam, M.C.Wilce, M.W.Parker, K.L.Tan, and P.G.Board (1997).
Homology model for the human GSTT2 Theta class glutathione transferase.
  Proteins, 27, 118-130.  
9048547 L.Hu, and R.F.Colman (1997).
Resonance energy transfer between sites in rat liver glutathione S-transferase, 1-1, selectively modified at cysteine-17 and cysteine-111.
  Biochemistry, 36, 1635-1645.  
  9165087 L.Prade, P.Hof, and B.Bieseler (1997).
Dimer interface of glutathione S-transferase from Arabidopsis thaliana: influence of the G-site architecture on the dimer interface and implications for classification.
  Biol Chem, 378, 317-320.  
9351803 L.Prade, R.Huber, T.H.Manoharan, W.E.Fahl, and W.Reuter (1997).
Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
  Structure, 5, 1287-1295.
PDB codes: 1aqv 1aqw 1aqx
9159132 R.O.McCann, and S.W.Craig (1997).
The I/LWEQ module: a conserved sequence that signifies F-actin binding in functionally diverse proteins from yeast to mammals.
  Proc Natl Acad Sci U S A, 94, 5679-5684.  
  9336840 T.Tudyka, and A.Skerra (1997).
Glutathione S-transferase can be used as a C-terminal, enzymatically active dimerization module for a recombinant protease inhibitor, and functionally secreted into the periplasm of Escherichia coli.
  Protein Sci, 6, 2180-2187.  
9245401 X.Ji, M.Tordova, R.O'Donnell, J.F.Parsons, J.B.Hayden, G.L.Gilliland, and P.Zimniak (1997).
Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
  Biochemistry, 36, 9690-9702.
PDB codes: 1pgt 2pgt
8663243 E.F.Wong, S.K.Brar, H.Sesaki, C.Yang, and C.H.Siu (1996).
Molecular cloning and characterization of DdCAD-1, a Ca2+-dependent cell-cell adhesion molecule, in Dictyostelium discoideum.
  J Biol Chem, 271, 16399-16408.  
8917446 N.Sluis-Cremer, N.N.Naidoo, W.H.Kaplan, T.H.Manoharan, W.E.Fahl, and H.W.Dirr (1996).
Determination of a binding site for a non-substrate ligand in mammalian cytosolic glutathione S-transferases by means of fluorescence-resonance energy transfer.
  Eur J Biochem, 241, 484-488.  
8973647 N.Sluis-Cremer, N.Naidoo, and H.Dirr (1996).
Class-pi glutathione S-transferase is unable to regain its native conformation after oxidative inactivation by hydrogen peroxide.
  Eur J Biochem, 242, 301-307.  
8901551 P.V.LoGrasso, J.Hawkins, L.J.Frank, D.Wisniewski, and A.Marcy (1996).
Mechanism of activation for Zap-70 catalytic activity.
  Proc Natl Acad Sci U S A, 93, 12165-12170.  
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Imaging ROMK1 inwardly rectifying ATP-sensitive K+ channel protein using atomic force microscopy.
  Proc Natl Acad Sci U S A, 93, 8756-8760.  
8706748 S.Vuilleumier, and T.Leisinger (1996).
Protein engineering studies of dichloromethane dehalogenase/glutathione S-transferase from Methylophilus sp. strain DM11. Ser12 but not Tyr6 is required for enzyme activity.
  Eur J Biochem, 239, 410-417.  
8910329 T.E.McHugh, W.M.Atkins, J.K.Racha, K.L.Kunze, and D.L.Eaton (1996).
Binding of the aflatoxin-glutathione conjugate to mouse glutathione S-transferase A3-3 is saturated at only one ligand per dimer.
  J Biol Chem, 271, 27470-27474.  
8710848 X.Ji, E.C.von Rosenvinge, W.W.Johnson, R.N.Armstrong, and G.L.Gilliland (1996).
Location of a potential transport binding site in a sigma class glutathione transferase by x-ray crystallography.
  Proc Natl Acad Sci U S A, 93, 8208-8213.
PDB code: 2gsq
8591048 A.D.Cameron, I.Sinning, G.L'Hermite, B.Olin, P.G.Board, B.Mannervik, and T.A.Jones (1995).
Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate.
  Structure, 3, 717-727.
PDB codes: 1gsd 1gse 1gsf
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