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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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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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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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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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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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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7TXR
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7U68
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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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7RJ9
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5TFN
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5TFO
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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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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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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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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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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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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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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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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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1HKC
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8TK3
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites | Descriptor: | 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3 | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites To Be Published
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8TK2
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ... | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid To Be Published
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8TK5
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2023-07-25 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock To Be Published
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