3UDV
 
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2011-10-28 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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8SBU
 | | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-04 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii
To be published
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8SU7
 | | Crystal structure of Bacillus anthracis dihydroneopterin aldolase | | Descriptor: | 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase | | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-11 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
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8SZD
 | | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ... | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
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2JPF
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6PC1
 | | Crystal structure of Helicobacter pylori PPX/GppA (E143A) in complex with ppGpp | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
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6PC0
 | | Crystal structure of Helicobacter pylori PPX/GppA | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, D-MALATE, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
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6PBZ
 | | Crystal structure of Escherichia coli GppA | | Descriptor: | CHLORIDE ION, Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase | | Authors: | Song, H, Shaw, G.X, Wang, C, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.475 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
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9C5E
 | | Covalent Complex Between Parkin Catalytic (Rcat) Domain and Ubiquitin | | Descriptor: | 1.7.6 3-bromanylpropan-1-amine, E3 ubiquitin-protein ligase parkin, Ubiquitin, ... | | Authors: | Connelly, E.M, Rintala-Dempsey, A.C, Gundogdu, M, Freeman, E.A, Koszela, J, Aguirre, J.D, Zhu, G, Kamarainen, O, Tadayon, R, Walden, H, Shaw, G.S. | | Deposit date: | 2024-06-06 | | Release date: | 2024-08-14 | | Method: | SOLUTION NMR | | Cite: | Capturing the catalytic intermediates of parkin ubiquitination.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6N13
 | | UbcH7-Ub Complex with R0RBR Parkin and phosphoubiquitin | | Descriptor: | E3 ubiquitin-protein ligase parkin, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ... | | Authors: | Condos, T.E.C, Dunkerley, K.M, Freeman, E.A, Barber, K.R, Aguirre, J.D, Chaugule, V.K, Xiao, Y, Konermann, L, Walden, H, Shaw, G.S. | | Deposit date: | 2018-11-08 | | Release date: | 2018-11-28 | | Last modified: | 2020-01-08 | | Method: | SOLUTION NMR | | Cite: | Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation.
EMBO J., 37, 2018
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7R97
 | | Crystal structure of postcleavge complex of Escherichia coli RNase III | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Dharavath, S, Shaw, G.X, Ji, X. | | Deposit date: | 2021-06-28 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Structural basis for Dicer-like function of an engineered RNase III variant and insights into the reaction trajectory of two-Mg 2+ -ion catalysis.
Rna Biol., 19, 2022
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6PC3
 | | Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP | | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
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6PC2
 | | Crystal structure of Helicobacter pylori PPX/GppA in complex with GNP | | Descriptor: | Guanosine pentaphosphate phosphohydrolase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
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8T0S
 | | Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Wang, C, Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2023-06-01 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position
To be published
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5C23
 | | Parkin (S65DUblR0RBR) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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5C1Z
 | | Parkin (UblR0RBR) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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1NSH
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1MQ1
 | | Ca2+-S100B-TRTK-12 complex | | Descriptor: | F-actin capping protein alpha-1 subunit, S-100 protein, beta chain | | Authors: | McClintock, K.A, Shaw, G.S. | | Deposit date: | 2002-09-13 | | Release date: | 2002-12-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A novel S100 target conformation is revealed by the solution structure of the Ca2+-S100B-TRTK-12 complex.
J.Biol.Chem., 278, 2003
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1FXT
 | | STRUCTURE OF A CONJUGATING ENZYME-UBIQUITIN THIOLESTER COMPLEX | | Descriptor: | UBIQUITIN, UBIQUITIN-CONJUGATING ENZYME E2-24 KDA | | Authors: | Hamilton, K.S, Shaw, G.S, Williams, R.S, Huzil, J.T, McKenna, S, Ptak, C, Glover, M, Ellison, M.J. | | Deposit date: | 2000-09-26 | | Release date: | 2001-10-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of a conjugating enzyme-ubiquitin thiolester intermediate reveals a novel role for the ubiquitin tail.
Structure, 9, 2001
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1SX0
 | | Solution NMR Structure and X-Ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase | | Descriptor: | SecA | | Authors: | Dempsey, B.R, Wrona, M, Moulin, J.M, Gloor, G.B, Jalilehvand, F, Lajoie, G, Shaw, G.S, Shilton, B.H. | | Deposit date: | 2004-03-30 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure and X-ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase.
Biochemistry, 43, 2004
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1SX1
 | | Solution NMR Structure and X-ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase | | Descriptor: | SecA, ZINC ION | | Authors: | Dempsey, B.R, Wrona, M, Moulin, J.M, Gloor, G.B, Jalilehvand, F, Lajoie, G, Shaw, G.S, Shilton, B.H. | | Deposit date: | 2004-03-30 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure and X-ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase.
Biochemistry, 43, 2004
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1TTE
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2NUG
 | | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 1.7-Angstrom Resolution | | Descriptor: | 5'-R(P*AP*AP*GP*GP*UP*CP*AP*UP*UP*CP*G)-3', 5'-R(P*AP*GP*UP*GP*GP*CP*CP*UP*UP*GP*C)-3', MAGNESIUM ION, ... | | Authors: | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | | Deposit date: | 2006-11-09 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A stepwise model for double-stranded RNA processing by ribonuclease III.
Mol.Microbiol., 67, 2007
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1F6V
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1UWO
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