2F09
 
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3UD5
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2011-10-27 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 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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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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3UDE
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | | 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)methyl]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 (1.881 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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1CTA
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2JPF
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1PON
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1CTD
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4F7V
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26) | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2012-05-16 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.
Bioorg.Med.Chem., 20, 2012
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9C5E
 | | Covalent Complex Between Parkin Catalytic (Rcat) Domain and Ubiquitin | | Descriptor: | E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ZINC ION | | 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 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Capturing the catalytic intermediates of parkin ubiquitination.
Proc.Natl.Acad.Sci.USA, 121, 2024
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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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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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1F6V
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2PRU
 | | NMR Structure of Human apoS100B at 10C | | Descriptor: | Protein S100-B | | Authors: | Malik, S, Shaw, G.S, Revington, M. | | Deposit date: | 2007-05-04 | | Release date: | 2008-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Analysis of the structure of human apo-S100B at low temperature indicates a unimodal conformational distribution is adopted by calcium-free S100 proteins.
Proteins, 73, 2008
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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: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation.
EMBO J., 37, 2018
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5TR5
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7JOF
 | | Calcium-bound C2A Domain from Human Dysferlin | | Descriptor: | CALCIUM ION, Isoform 6 of Dysferlin | | Authors: | Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S. | | Deposit date: | 2020-08-06 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner.
Biochem.J., 478, 2021
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7K6B
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7KRB
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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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2JMO
 | | IBR domain of Human Parkin | | Descriptor: | Parkin, ZINC ION | | Authors: | Beasley, S.A, Hristova, V.A, Shaw, G.S. | | Deposit date: | 2006-11-24 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of the Parkin in-between-ring domain provides insights for E3-ligase dysfunction in autosomal recessive Parkinson's disease.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2KJH
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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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2ASY
 | | Solution Structure of ydhR protein from Escherichia coli | | Descriptor: | Protein ydhR precursor | | Authors: | Revington, M, Semesi, A, Yee, A, Shaw, G.S, Ontario Centre for Structural Proteomics (OCSP) | | Deposit date: | 2005-08-24 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Escherichia coli protein ydhR: A putative mono-oxygenase.
Protein Sci., 14, 2005
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1UWO
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