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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7TXR
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7U68
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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: | 2024-10-30 | | 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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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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8TK6
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in apo form | | Descriptor: | 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 (1.65 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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5TBP
 | | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | | Deposit date: | 2016-09-12 | | Release date: | 2017-08-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
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7KJZ
 | | crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate | | Descriptor: | 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7 | | Authors: | Marassi, F.M, Aleshin, A.E, Liddington, R.C. | | Deposit date: | 2020-10-26 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
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7KK7
 | | crystal structure of ligand-free PLEKHA7 PH domain | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pleckstrin homology domain-containing family A member 7 | | Authors: | Marassi, F.M, Aleshin, A.E, Liddington, R.C. | | Deposit date: | 2020-10-27 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
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7KJO
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9DJ9
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in distinct apo form | | Descriptor: | Dual specificity protein phosphatase 3 | | Authors: | Keedy, D.A, Lemberikman, A.M, Isiorho, E.A, Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | Deposit date: | 2024-09-06 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.924 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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7REF
 | | Structure of MS3494 from Mycobacterium smegmatis | | Descriptor: | BROMIDE ION, MS3494 | | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | | Deposit date: | 2021-07-12 | | Release date: | 2021-08-18 | | Last modified: | 2022-06-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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4RPI
 | | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase | | Authors: | Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A. | | Deposit date: | 2014-10-30 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
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8DRG
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8DQY
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8DRI
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8DZD
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2I39
 | | Crystal structure of Vaccinia virus N1L protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Protein N1 | | Authors: | Aoyagi, M, Aleshin, A.E, Stec, B, Liddington, R.C. | | Deposit date: | 2006-08-17 | | Release date: | 2006-11-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Vaccinia virus N1L protein resembles a B cell lymphoma-2 (Bcl-2) family protein.
Protein Sci., 16, 2007
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5JNU
 | | Crystal structure of mouse Low-Molecular Weight Protein Tyrosine Phosphatase type A (LMPTP-A) complexed with phosphate | | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.535 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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5JNW
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor | | Descriptor: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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5JNV
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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5JNR
 | | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A | | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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5JNT
 | | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with MES | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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