4TPL
 
 | | West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2014-06-08 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
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6WEQ
 | | DENV1 NS1 in complex with neutralizing 2B7 Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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2A11
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8G7X
 | | Human fatty acid synthase dehydratase domain | | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Akey, D.L, Konwerski, J.R, McCullough, T.M, Smith, J.L. | | Deposit date: | 2023-02-17 | | Release date: | 2023-06-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.815 Å) | | Cite: | Structure of a modular polyketide synthase reducing region.
Structure, 31, 2023
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6WER
 | | DENV2 NS1 in complex with neutralizing 2B7 Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.96 Å) | | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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7K93
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4XVY
 | | MycF mycinamicin III 3'-O-methyltransferase in complex with SAH | | Descriptor: | MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2015-01-28 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
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4XVZ
 | | MycF mycinamicin III 3'-O-methyltransferase in complex with Mg | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2015-01-28 | | Release date: | 2015-03-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
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5K6K
 | | Zika virus non-structural protein 1 (NS1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Akey, D.L, Brown, W.C, Smith, J.L. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Extended surface for membrane association in Zika virus NS1 structure.
Nat.Struct.Mol.Biol., 23, 2016
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4O6B
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9CEL
 | | Juvenimicin Thioesterase | | Descriptor: | Type I PKS module 7 | | Authors: | Akey, D.L, Smith, J.S, Choudhary, V. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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4O6C
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4O6D
 | | West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2013-12-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5936 Å) | | Cite: | Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
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3V7I
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1VS0
 | | Crystal Structure of the Ligase Domain from M. tuberculosis LigD at 2.4A | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Putative DNA ligase-like protein Rv0938/MT0965, ... | | Authors: | Akey, D, Martins, A, Aniukwu, J, Glickman, M.S, Shuman, S, Berger, J.M, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-01-27 | | Release date: | 2006-02-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure and Nonhomologous End-joining Function of the Ligase Component of Mycobacterium DNA Ligase D.
J.Biol.Chem., 281, 2006
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2HFJ
 | | Pikromycin thioesterase with covalent pentaketide affinity label | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | | Deposit date: | 2006-06-24 | | Release date: | 2006-09-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
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2HFK
 | | Pikromycin thioesterase in complex with product 10-deoxymethynolide | | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | | Deposit date: | 2006-06-24 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
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1IJ0
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3SSO
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3SSM
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3KG8
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3KG9
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3KG7
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3LCR
 | | Thioesterase from Tautomycetin Biosynthhetic Pathway | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Tautomycetin biosynthetic PKS | | Authors: | Akey, D.L, Scaglione, J.B, Smith, J.L, Sherman, D.H. | | Deposit date: | 2010-01-11 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of the tautomycetin thioesterase: analysis of a stereoselective polyketide hydrolase.
Angew.Chem.Int.Ed.Engl., 49, 2010
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3SSN
 | | MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg, SAH, and Mycinamycin VI | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2011-07-08 | | Release date: | 2011-08-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
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