3F9K
 
 | | Two domain fragment of HIV-2 integrase in complex with LEDGF IBD | | Descriptor: | Integrase, MAGNESIUM ION, PC4 and SFRS1-interacting protein, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2008-11-14 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75
Plos Pathog., 5, 2009
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3HPG
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2WTB
 | | Arabidopsis thaliana multifuctional protein, MFP2 | | Descriptor: | FATTY ACID MULTIFUNCTIONAL PROTEIN (ATMFP2) | | Authors: | Arent, S, Pye, V.E, Christensen, C.E, Norgaard, A, Henriksen, A. | | Deposit date: | 2009-09-15 | | Release date: | 2010-05-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Multi-Functional Protein in Peroxisomal Beta-Oxidation. Structure and Substrate Specificity of the Arabidopsis Thaliana Protein, Mfp2
J.Biol.Chem., 285, 2010
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3L2W
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir) | | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ... | | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | | Deposit date: | 2009-12-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
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3L2U
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and GS9137 (Elvitegravir) | | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ... | | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | | Deposit date: | 2009-12-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
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4E7I
 | | PFV intasome freeze-trapped prior to 3'-processing, Mn-bound form (UI-Mn) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*AP*AP*T)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2012-03-17 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5301 Å) | | Cite: | 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 31, 2012
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4E7H
 | | PFV intasome prior to 3'-processing, Apo form (UI-Apo) | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*AP*AP*T)-3'), GLYCEROL, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2012-03-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5701 Å) | | Cite: | 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 31, 2012
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4JN0
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4JMB
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ... | | Authors: | Barelier, S, Fischer, M. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
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4JMZ
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4JMV
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4JMS
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4JMT
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2GZA
 | | Crystal structure of the VirB11 ATPase from the Brucella Suis type IV secretion system in complex with sulphate | | Descriptor: | SULFATE ION, Type IV secretion system protein VirB11 | | Authors: | Hare, S, Bayliss, R, Baron, C, Waksman, G. | | Deposit date: | 2006-05-11 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Large Domain Swap in the VirB11 ATPase of Brucella suis Leaves the Hexameric Assembly Intact
J.Mol.Biol., 360, 2006
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1PMD
 | | PENICILLIN-BINDING PROTEIN 2X (PBP-2X) | | Descriptor: | PEPTIDOGLYCAN SYNTHESIS MULTIFUNCTIONAL ENZYME | | Authors: | Pares, S, Mouz, N, Dideberg, O. | | Deposit date: | 1996-02-05 | | Release date: | 1997-02-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | X-ray structure of Streptococcus pneumoniae PBP2x, a primary penicillin target enzyme.
Nat.Struct.Biol., 3, 1996
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2CDT
 | | alpha-SPECTRIN SH3 DOMAIN A56S MUTANT | | Descriptor: | SPECTRIN ALPHA CHAIN | | Authors: | Casares, S, Camara-Artigas, A, Vega, M.C, Lopez-Mayorga, O, Conejero-Lara, F. | | Deposit date: | 2006-01-27 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Cooperative Propagation of Local Stability Changes from Low-Stability and High-Stability Regions in a SH3 Domain.
Proteins: Struct., Funct., Bioinf., 67, 2007
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1DUG
 | | STRUCTURE OF THE FIBRINOGEN G CHAIN INTEGRIN BINDING AND FACTOR XIIIA CROSSLINKING SITES OBTAINED THROUGH CARRIER PROTEIN DRIVEN CRYSTALLIZATION | | Descriptor: | GLUTATHIONE, chimera of GLUTATHIONE S-TRANSFERASE-synthetic LINKEr-C-TERMINAL FIBRINOGEN GAMMA CHAIN | | Authors: | Ware, S, Donahue, J.P, Hawiger, J, Anderson, W.F. | | Deposit date: | 2000-01-17 | | Release date: | 2000-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the fibrinogen gamma-chain integrin binding and factor XIIIa cross-linking sites obtained through carrier protein driven crystallization.
Protein Sci., 8, 1999
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2PT7
 | | Crystal structure of Cag VirB11 (HP0525) and an inhibitory protein (HP1451) | | Descriptor: | Cag-alfa, Hypothetical protein | | Authors: | Hare, S, Fischer, W, Williams, R, Terradot, L, Bayliss, R, Haas, R, Waksman, G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification, structure and mode of action of a new regulator of the Helicobacter pylori HP0525 ATPase.
Embo J., 26, 2007
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2R52
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8SNP
 | | Crystal structure of mouse Netrin-1 in complex with samarium ions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Heide, F, Legare, S, Stetefeld, J. | | Deposit date: | 2023-04-27 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Investigating the structural and functional roles of calcium binding in Netrin-1
To Be Published
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4OLG
 | | Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid | | Descriptor: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Shoichet, B.K, Barelier, S. | | Deposit date: | 2014-01-23 | | Release date: | 2014-05-28 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
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2WV3
 | | Neuroplastin-55 binds to and signals through the fibroblast growth factor receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUROPLASTIN | | Authors: | Soroka, V, Owczarek, S, Kastrup, J.S, Berezin, V, Bock, E, Gajhede, M. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Neuroplastin-55 Binds to and Signals Through the Fibroblast Growth Factor Receptor
Faseb J., 24, 2010
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4OLD
 | | Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Descriptor: | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Shoichet, B.K, Barelier, S. | | Deposit date: | 2014-01-23 | | Release date: | 2014-05-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
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1HTP
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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