3OYB
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![BU of 3oyb by Molmil](/molmil-images/mine/3oyb) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK2048 | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYI
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![BU of 3oyi by Molmil](/molmil-images/mine/3oyi) | Crystal structure of the PFV S217Q mutant intasome in complex with manganese | Descriptor: | AMMONIUM ION, 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*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3S3M
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![BU of 3s3m by Molmil](/molmil-images/mine/3s3m) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
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3S3O
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![BU of 3s3o by Molmil](/molmil-images/mine/3s3o) | Crystal structure of the Prototype Foamy Virus (PFV) N224H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
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4JN0
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![BU of 4jn0 by Molmil](/molmil-images/mine/4jn0) | |
4JMT
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![BU of 4jmt by Molmil](/molmil-images/mine/4jmt) | |
4JMB
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![BU of 4jmb by Molmil](/molmil-images/mine/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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![BU of 4jmz by Molmil](/molmil-images/mine/4jmz) | |
3S3N
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![BU of 3s3n by Molmil](/molmil-images/mine/3s3n) | Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
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3OYF
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![BU of 3oyf by Molmil](/molmil-images/mine/3oyf) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI L-870,810 | Descriptor: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYG
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![BU of 3oyg by Molmil](/molmil-images/mine/3oyg) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound1 (CompoundG) | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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4E7I
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![BU of 4e7i by Molmil](/molmil-images/mine/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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2GZA
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![BU of 2gza by Molmil](/molmil-images/mine/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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2CDT
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![BU of 2cdt by Molmil](/molmil-images/mine/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
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![BU of 1dug by Molmil](/molmil-images/mine/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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1PMD
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![BU of 1pmd by Molmil](/molmil-images/mine/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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2RAO
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![BU of 2rao by Molmil](/molmil-images/mine/2rao) | X ray crystal structure of rabbit hemoglobin (oxy form) at 2.0 angstrom resolution | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1/2, OXYGEN MOLECULE, ... | Authors: | Sundaresan, S, Packianathan, C, Neelagandan, K, Ponnuswamy, M.N. | Deposit date: | 2007-09-17 | Release date: | 2008-09-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystal structure determination of hemoglobin from rabbit at 2.0 angstrom resloution To be Published
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2WTB
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![BU of 2wtb by Molmil](/molmil-images/mine/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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8SNP
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![BU of 8snp by Molmil](/molmil-images/mine/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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2JER
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![BU of 2jer by Molmil](/molmil-images/mine/2jer) | |
4OLG
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![BU of 4olg by Molmil](/molmil-images/mine/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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4OLD
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![BU of 4old by Molmil](/molmil-images/mine/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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2WV3
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![BU of 2wv3 by Molmil](/molmil-images/mine/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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1HTP
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![BU of 1htp by Molmil](/molmil-images/mine/1htp) | |
4KZ6
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![BU of 4kz6 by Molmil](/molmil-images/mine/4kz6) | Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | Descriptor: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-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 (1.68 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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