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1JDJ
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BU of 1jdj by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE
Descriptor: 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE
Authors:Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J.
Deposit date:2001-06-14
Release date:2002-06-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
1JR0
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BU of 1jr0 by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
Descriptor: (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
1JY1
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BU of 1jy1 by Molmil
CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1)
Descriptor: TYROSYL-DNA PHOSPHODIESTERASE
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
Deposit date:2001-09-10
Release date:2002-02-20
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1.
Structure, 10, 2002
1JVZ
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BU of 1jvz by Molmil
Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid
Descriptor: 7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain
Authors:Kim, Y, Hol, W.G.J.
Deposit date:2001-09-01
Release date:2002-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity
CHEM.BIOL., 8, 2001
1JOA
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BU of 1joa by Molmil
NADH PEROXIDASE WITH CYSTEINE-SULFENIC ACID
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE
Authors:Yeh, J.I, Claiborne, A.C, Hol, W.G.J.
Deposit date:1996-07-02
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the native cysteine-sulfenic acid redox center of enterococcal NADH peroxidase refined at 2.8 A resolution.
Biochemistry, 35, 1996
1JW0
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BU of 1jw0 by Molmil
Structure of cephalosporin acylase in complex with glutarate
Descriptor: GLUTARIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain
Authors:Kim, Y, Hol, W.G.J.
Deposit date:2001-09-01
Release date:2002-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity
CHEM.BIOL., 8, 2001
2BTM
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BU of 2btm by Molmil
DOES THE HIS12-LYS13 PAIR PLAY A ROLE IN THE ADAPTATION OF THERMOPHILIC TIMS TO HIGH TEMPERATURES?
Descriptor: 2-PHOSPHOGLYCOLIC ACID, PROTEIN (TRIOSEPHOSPHATE ISOMERASE)
Authors:Delboni, L.F, Mande, S.C, Hol, W.G.J.
Deposit date:1999-01-04
Release date:1999-01-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lys13 plays a crucial role in the functional adaptation of the thermophilic triose-phosphate isomerase from Bacillus stearothermophilus to high temperatures.
J.Biol.Chem., 274, 1999
4DFR
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BU of 4dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
Deposit date:1982-06-25
Release date:1982-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
3DFR
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BU of 3dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
Deposit date:1982-06-25
Release date:1982-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
1F8W
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BU of 1f8w by Molmil
CRYSTAL STRUCTURE OF NADH PEROXIDASE MUTANT: R303M
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE
Authors:Yeh, J.I, Claiborne, A, Hol, W.G.J.
Deposit date:2000-07-05
Release date:2001-02-05
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Analysis of the kinetic and redox properties of the NADH peroxidase R303M mutant: correlation with the crystal structure.
Biochemistry, 39, 2000
1LLR
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BU of 1llr by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012
Descriptor: 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2002-04-30
Release date:2002-08-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
1LTI
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BU of 1lti by Molmil
HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN
Descriptor: HEAT LABILE ENTEROTOXIN TYPE I, beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1996-05-09
Release date:1996-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Tumor marker disaccharide D-Gal-beta 1, 3-GalNAc complexed to heat-labile enterotoxin from Escherichia coli.
Protein Sci., 5, 1996
1LEP
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BU of 1lep by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE IMMUNODOMINANT HEAT-SHOCK PROTEIN CHAPERONIN-10 OF MYCOBACTERIUM LEPRAE
Descriptor: CHAPERONIN-10
Authors:Mande, S.C, Hol, W.G.J.
Deposit date:1995-12-13
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the heat shock protein chaperonin-10 of Mycobacterium leprae.
Science, 271, 1996
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Descriptor: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
Authors:Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
1NHS
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BU of 1nhs by Molmil
AN L40C MUTATION CONVERTS THE CYSTEINE-SULFENIC ACID REDOX CENTRE IN ENTEROCOCCAL NADH PEROXIDASE TO A DISULFIDE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
Authors:Mande, S.S, Claiborne, A, Hol, W.G.J.
Deposit date:1994-12-09
Release date:1995-02-14
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:An L40C mutation converts the cysteine-sulfenic acid redox center in enterococcal NADH peroxidase to a disulfide.
Biochemistry, 34, 1995
1NHR
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BU of 1nhr by Molmil
AN L40C MUTATION CONVERTS THE CYSTEINE-SULFENIC ACID REDOX CENTRE IN ENTEROCOCCAL NADH PEROXIDASE TO A DISULFIDE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
Authors:Mande, S.S, Claiborne, A, Hol, W.G.J.
Deposit date:1994-12-09
Release date:1995-02-14
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An L40C mutation converts the cysteine-sulfenic acid redox center in enterococcal NADH peroxidase to a disulfide.
Biochemistry, 34, 1995
1NHP
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CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
Authors:Mande, S.S, Claiborne, A, Hol, W.G.J.
Deposit date:1994-12-09
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303.
Biochemistry, 34, 1995
1NHQ
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BU of 1nhq by Molmil
CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
Authors:Mande, S.S, Claiborne, A, Hol, W.G.J.
Deposit date:1994-12-09
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303.
Biochemistry, 34, 1995
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
1THM
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BU of 1thm by Molmil
CRYSTAL STRUCTURE OF THERMITASE AT 1.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, SODIUM ION, SULFATE ION, ...
Authors:Teplyakov, A.V, Kuranova, I.P, Harutyunyan, E.H.
Deposit date:1992-02-24
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of thermitase at 1.4 A resolution.
J.Mol.Biol., 214, 1990
1V11
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BU of 1v11 by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
Authors:Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-04-05
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
1V1M
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CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
Authors:Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-04-20
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain Alpha-Keto Acid Decarboxylase/Dehydrogenase.
J.Biol.Chem., 279, 2004
1V1R
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CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, CHLORIDE ION, ...
Authors:Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-04-22
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
1V16
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CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
Authors:Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-04-07
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
1B44
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CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Descriptor: PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN)
Authors:Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G.
Deposit date:1999-01-04
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999

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