1AGM
 
 | | Refined structure for the complex of acarbose with glucoamylase from Aspergillus awamori var. x100 to 2.4 angstroms resolution | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | | Authors: | Aleshin, A.E, Firsov, L.M, Honzatko, R.B. | | Deposit date: | 1994-05-13 | | Release date: | 1994-09-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined structure for the complex of acarbose with glucoamylase from Aspergillus awamori var. X100 to 2.4-A resolution.
J.Biol.Chem., 269, 1994
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3T5O
 | | Crystal Structure of human Complement Component C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Complement component C6, ... | | Authors: | Aleshin, A.E, Stec, B, Bankston, L.A, DiScipio, R.G, Liddington, R.C. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.869 Å) | | Cite: | Structure of Complement C6 Suggests a Mechanism for Initiation and Unidirectional, Sequential Assembly of Membrane Attack Complex (MAC).
J.Biol.Chem., 287, 2012
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3GLY
 | | REFINED CRYSTAL STRUCTURES OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. X100 | | Descriptor: | GLUCOAMYLASE-471, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Aleshin, A.E, Hoffman, C, Firsov, L.M, Honzatko, R.B. | | Deposit date: | 1994-06-03 | | Release date: | 1994-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined crystal structures of glucoamylase from Aspergillus awamori var. X100.
J.Mol.Biol., 238, 1994
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1LF9
 | | CRYSTAL STRUCTURE OF BACTERIAL GLUCOAMYLASE COMPLEXED WITH ACARBOSE | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE, SULFATE ION | | Authors: | Aleshin, A.E, Feng, P.-H, Honzatko, R.B, Reilly, P.J. | | Deposit date: | 2002-04-10 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and evolution of prokaryotic glucoamylase
J.Mol.Biol., 327, 2003
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6BDN
 | | Crystal structure of human TAO3 kinase binding ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Aleshin, A.E, Bankton, L.A, Pinkerton, A, Courtneidge, S.A, Liddington, R.C. | | Deposit date: | 2017-10-23 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human TAO3 kinase binding ADP
To Be Published
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6UM3
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7TXR
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7U68
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1GAI
 | | GLUCOAMYLASE-471 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE | | Descriptor: | 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | | Authors: | Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B. | | Deposit date: | 1996-03-06 | | Release date: | 1996-08-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism.
Biochemistry, 35, 1996
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7RJ9
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1GAH
 | | GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | | Authors: | Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B. | | Deposit date: | 1996-03-06 | | Release date: | 1996-08-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism.
Biochemistry, 35, 1996
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1GLM
 | | REFINED CRYSTAL STRUCTURES OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. X100 | | Descriptor: | GLUCOAMYLASE-471, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Aleshin, A.E, Hoffman, C, Firsov, L.M, Honzatko, R.B. | | Deposit date: | 1994-04-25 | | Release date: | 1994-06-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Refined crystal structures of glucoamylase from Aspergillus awamori var. X100.
J.Mol.Biol., 238, 1994
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7MHE
 | | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7957 | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine, Fatty acid synthase | | Authors: | Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N. | | Deposit date: | 2021-04-15 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
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7MHD
 | | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 | | Descriptor: | Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide | | Authors: | Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N. | | Deposit date: | 2021-04-15 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
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7M1V
 | | Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the super-open conformation | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide, CHLORIDE ION, ... | | Authors: | Aleshin, A.E, Shiryaev, S.A, Liddington, R.C. | | Deposit date: | 2021-03-15 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | To be provided
To Be Published
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2GGV
 | | Crystal structure of the West Nile virus NS2B-NS3 protease, His51Ala mutant | | Descriptor: | non-structural protein 2B, non-structural protein 3 | | Authors: | Aleshin, A.E, Shiryaev, S.A, Strongin, A.Y, Liddington, R.C. | | Deposit date: | 2006-03-24 | | Release date: | 2007-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold.
Protein Sci., 16, 2007
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4ON1
 | | Crystal Structure of metalloproteinase-II from Bacteroides fragilis | | Descriptor: | GLYCEROL, Putative metalloprotease II, ZINC ION | | Authors: | Aleshin, A.E, Liddington, R.C, Shiryaev, S.A, Strongin, A.Y. | | Deposit date: | 2014-01-28 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural and functional diversity of metalloproteinases encoded by the Bacteroides fragilis pathogenicity island.
Febs J., 281, 2014
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4N8R
 | | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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4N5G
 | | Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | | Descriptor: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-09 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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1DGK
 | | MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ... | | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 1999-11-24 | | Release date: | 2000-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
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2IJO
 | | Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor | | Descriptor: | Pancreatic trypsin inhibitor, Polyprotein | | Authors: | Aleshin, A.E, Shiryaev, S.A, Strongin, A.Y, Liddington, R.C. | | Deposit date: | 2006-09-29 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold.
Protein Sci., 16, 2007
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1CZA
 | | MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ... | | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 1999-09-01 | | Release date: | 2000-03-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
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4E0S
 | | Crystal Structure of C5b-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C5, ... | | Authors: | Aleshin, A.E, Stec, B, DiScipio, R, Liddington, R.C. | | Deposit date: | 2012-03-05 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (4.21 Å) | | Cite: | Crystal structure of c5b-6 suggests structural basis for priming assembly of the membrane attack complex.
J.Biol.Chem., 287, 2012
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1HKC
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1HKB
 | | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ... | | Authors: | Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 1997-12-01 | | Release date: | 1998-06-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate.
Structure, 6, 1998
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