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8CCX
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BU of 8ccx by Molmil
Human SOD1 in complex with S-XL6 cross-linker
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-01-27
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
1VSB
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BU of 1vsb by Molmil
SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-17
Release date:1998-03-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
2H09
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BU of 2h09 by Molmil
Crystal structure of diphtheria toxin repressor like protein from E. coli
Descriptor: Transcriptional regulator mntR
Authors:Kumarevel, T.S, Tanaka, T, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-05-14
Release date:2007-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the manganese transport regulatory protein from Escherichia coli.
Proteins, 2009
1L6G
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BU of 1l6g by Molmil
Alanine racemase bound with N-(5'-phosphopyridoxyl)-D-alanine
Descriptor: N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE, alanine racemase
Authors:Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N.
Deposit date:2002-03-10
Release date:2002-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine.
J.Biol.Chem., 277, 2002
1L6F
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BU of 1l6f by Molmil
Alanine racemase bound with N-(5'-phosphopyridoxyl)-L-alanine
Descriptor: ALANYL-PYRIDOXAL-5'-PHOSPHATE, alanine racemase
Authors:Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N.
Deposit date:2002-03-09
Release date:2002-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine.
J.Biol.Chem., 277, 2002
3VGC
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BU of 3vgc by Molmil
GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX
Descriptor: GAMMA CHYMOTRYPSIN, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1YAA
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BU of 1yaa by Molmil
ASPARTATE AMINOTRANSFERASE FROM SACCHAROMYCES CEREVISIAE CYTOPLASM
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Jeffery, C.J.
Deposit date:1998-01-27
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Saccharomyces cerevisiae cytosolic aspartate aminotransferase.
Protein Sci., 7, 1998
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3OWS
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BU of 3ows by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-20
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site.
Proc.Natl.Acad.Sci.USA, 109, 2013
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
Deposit date:2014-03-08
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
5VWO
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BU of 5vwo by Molmil
Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)
Descriptor: (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
Authors:Mascarenhas, R, Liu, D, Le, H, Silverman, R.
Deposit date:2017-05-22
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
5VWR
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BU of 5vwr by Molmil
E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, Aspartate aminotransferase, GLYCEROL
Authors:Mascarenhas, R, Liu, D, Le, H, Silverman, R.
Deposit date:2017-05-22
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
3YPI
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BU of 3ypi by Molmil
ELECTROPHILIC CATALYSIS IN TRIOSEPHOSPHASE ISOMERASE: THE ROLE OF HISTIDINE-95
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-12-31
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95.
Biochemistry, 30, 1991
2YPI
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BU of 2ypi by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis.
Biochemistry, 29, 1990
3D7K
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BU of 3d7k by Molmil
Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION
Authors:Brandt, G.S.
Deposit date:2008-05-21
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester
Biochemistry, 47, 2008
4MPP
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BU of 4mpp by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-13
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A pseudo study of thiamin diphosphate-dependent decarboxylases
To be Published
1YPI
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BU of 1ypi by Molmil
STRUCTURE OF YEAST TRIOSEPHOSPHATE ISOMERASE AT 1.9-ANGSTROMS RESOLUTION
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Alber, T, Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of yeast triosephosphate isomerase at 1.9-A resolution.
Biochemistry, 29, 1990
4P3R
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BU of 4p3r by Molmil
Cryogenic WT DHFR, time-averaged ensemble
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Keedy, D.A, van den Bedem, H, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4P3Q
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BU of 4p3q by Molmil
Room-temperature WT DHFR, time-averaged ensemble
Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
Authors:Keedy, D.A, van den Bedem, H, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
3VSB
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BU of 3vsb by Molmil
SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1O76
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BU of 1o76 by Molmil
CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D, Schlichting, I.
Deposit date:2002-10-23
Release date:2002-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes
Arch.Biochem.Biophys., 409, 2003
3GXF
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BU of 3gxf by Molmil
Crystal structure of acid-beta-glucosidase with isofagomine at neutral pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3GXT
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BU of 3gxt by Molmil
Crystal structure of alpha-galactosidase A at pH 4.5 complexed with 1-deoxygalactonijirimycin
Descriptor: 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3GXI
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BU of 3gxi by Molmil
Crystal structure of acid-beta-glucosidase at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009

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