4F7V
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![BU of 4f7v by Molmil](/molmil-images/mine/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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1CTD
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2F09
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1CTA
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1PON
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3UD5
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![BU of 3ud5 by Molmil](/molmil-images/mine/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
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![BU of 3udv by Molmil](/molmil-images/mine/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
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![BU of 3ude by Molmil](/molmil-images/mine/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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2JPF
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1F6V
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1SX1
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![BU of 1sx1 by Molmil](/molmil-images/mine/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
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![BU of 1sx0 by Molmil](/molmil-images/mine/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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6N13
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![BU of 6n13 by Molmil](/molmil-images/mine/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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5C23
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![BU of 5c23 by Molmil](/molmil-images/mine/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
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![BU of 5c1z by Molmil](/molmil-images/mine/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
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![BU of 2asy by Molmil](/molmil-images/mine/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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1FXT
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![BU of 1fxt by Molmil](/molmil-images/mine/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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1UWO
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7K6B
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7KRB
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5TR5
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![BU of 5tr5 by Molmil](/molmil-images/mine/5tr5) | |
2KJH
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7JOF
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![BU of 7jof by Molmil](/molmil-images/mine/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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2JMO
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![BU of 2jmo by Molmil](/molmil-images/mine/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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2LGY
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![BU of 2lgy by Molmil](/molmil-images/mine/2lgy) | Ubiquitin-like domain from HOIL-1 | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Beasley, S.A, Shaw, G.S. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the E3 ligase HOIL-1 Ubl domain. Protein Sci., 21, 2012
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