5U4W
 
 | | Cryo-EM Structure of Immature Zika Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein, ... | | Authors: | Mangala Prasad, V, Miller, A.S, Klose, T, Sirohi, D, Buda, G, Jiang, W, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Structure of the immature Zika virus at 9 angstrom resolution.
Nat. Struct. Mol. Biol., 24, 2017
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5UDN
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5UF1
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide | | Descriptor: | CHLORIDE ION, O13, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | | Deposit date: | 2017-01-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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5UFD
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) RBC36 (Apo) | | Descriptor: | MAGNESIUM ION, RBC36 | | Authors: | Collins, B.C, Gunn, R.J, McKitrick, T.R, Herrin, B.R, Cummings, R.D, Cooper, M.D, Wilson, I.A. | | Deposit date: | 2017-01-04 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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5V3F
 | | Co-crystal structure of the fluorogenic RNA Mango | | Descriptor: | 4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | | Deposit date: | 2017-03-07 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for high-affinity fluorophore binding and activation by RNA Mango.
Nat. Chem. Biol., 13, 2017
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5V2N
 | | Crystal Structure of APO Human SETD8 | | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A | | Authors: | Skene, R.J. | | Deposit date: | 2017-03-05 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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5UE5
 | | proMMP-7 with heparin octasaccharide bound to the catalytic domain | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ... | | Authors: | Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R. | | Deposit date: | 2016-12-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
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5UHY
 | | A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | | Descriptor: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | | Authors: | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2017-01-12 | | Release date: | 2017-03-29 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | A human antibody against Zika virus crosslinks the E protein to prevent infection.
Nat Commun, 8, 2017
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5UE2
 | | proMMP-7 with heparin octasaccharide bridging between domains | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ... | | Authors: | Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R. | | Deposit date: | 2016-12-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
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5TN2
 | | Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis | | Descriptor: | HTH-type transcriptional regulator SinR | | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
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5TN0
 | | Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis | | Descriptor: | HTH-type transcriptional regulator SinR | | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
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1P7A
 | | Solution Structure of the Third Zinc Finger from BKLF | | Descriptor: | Kruppel-like factor 3, ZINC ION | | Authors: | Simpson, R.J.Y, Cram, E.D, Czolij, R, Matthews, J.M, Crossley, M, Mackay, J.P. | | Deposit date: | 2003-04-30 | | Release date: | 2003-12-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | CCHX zinc finger derivatives retain the ability to bind Zn(II) and mediate protein-DNA interactions.
J.Biol.Chem., 278, 2003
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3ZXG
 | | lysenin sphingomyelin complex | | Descriptor: | LYSENIN, SULFATE ION, TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM | | Authors: | De Colibus, L, Sonnen, A.F.P, Morris, K.J, Siebert, C.A, Abrusci, P, Plitzko, J, Hodnik, V, Leippe, M, Volpi, E, Anderluh, G, Gilbert, R.J.C. | | Deposit date: | 2011-08-10 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Structure, 20, 2012
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3ZX7
 | | Complex of lysenin with phosphocholine | | Descriptor: | LYSENIN, PHOSPHATE ION, PHOSPHOCHOLINE, ... | | Authors: | De Colibus, L, Sonnen, A.F.P, Morris, K.J, Siebert, C.A, Abrusci, P, Plitzko, J, Hodnik, V, Leippe, M, Volpi, E, Anderluh, G, Gilbert, R.J.C. | | Deposit date: | 2011-08-08 | | Release date: | 2012-09-19 | | Last modified: | 2012-10-03 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Structure, 20, 2012
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3ZXD
 | | wild-type lysenin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | De Colibus, L, Sonnen, A.F.P, Morris, K.J, Siebert, C.A, Abrusci, P, Plitzko, J, Hodnik, V, Leippe, M, Volpi, E, Anderluh, G, Gilbert, R.J.C. | | Deposit date: | 2011-08-09 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Structure, 20, 2012
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4IMM
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1OEB
 | | Mona/Gads SH3C domain | | Descriptor: | CADMIUM ION, GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2 | | Authors: | Harkiolaki, M, Lewitzky, M, Gilbert, R.J.C, Jones, E.Y, Bourette, R.P, Mouchiroud, G, Sondermann, H, Moarefi, I, Feller, S.M. | | Deposit date: | 2003-03-24 | | Release date: | 2003-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for SH3 Domain-Mediated High-Affinity Binding between Mona/Gads and Slp-76
Embo J., 22, 2003
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1B2M
 | | THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES AND CATALYSIS. | | Descriptor: | 5'-R(*GP*(U34))-3', RIBONUCLEASE T1 | | Authors: | Arni, R.K, Watanabe, L, Ward, R.J, Kreitman, R.J, Kumar, K, Walz Jr, F.G. | | Deposit date: | 1998-11-27 | | Release date: | 1999-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of ribonuclease T1 complexed with an isosteric phosphonate substrate analogue of GpU: alternate substrate binding modes and catalysis.
Biochemistry, 38, 1999
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1O7X
 | | Citrate synthase from Sulfolobus solfataricus | | Descriptor: | CITRATE SYNTHASE | | Authors: | Bell, G.S, Russell, R.J.M, Connaris, H, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2002-11-19 | | Release date: | 2002-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Stepwise Adaptations of Citrate Synthase to Survival at Life'S Extremes. From Psychrophile to Hyperthermophile.
Eur.J.Biochem., 269, 2002
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4HDI
 | | Crystal Structure of 3E5 IgG3 FAB from mus musculus | | Descriptor: | Ig heavy chain V region RF, Ig gamma-3 chain C region, Kappa light chain variable region, ... | | Authors: | Janda, A, Eryilmaz, E, Kim, J, Cordero, R.J.B, Cowburn, D, Casadevall, A. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Global structures of IgG isotypes expressing identical variable regions.
Mol.Immunol., 56, 2013
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6E3E
 | | Structure of RORgt in complex with a novel inverse agonist. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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6E3G
 | | Structure of RORgt in complex with a novel agonist. | | Descriptor: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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4HBP
 | | Crystal Structure of FAAH in complex with inhibitor | | Descriptor: | 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide, Fatty-acid amide hydrolase 1 | | Authors: | Behnke, C, Skene, R.J. | | Deposit date: | 2012-09-28 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21, 2013
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6YZ5
 | | H11-D4 complex with SARS-CoV-2 RBD | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, Le Bas, A. | | Deposit date: | 2020-05-06 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | H11-D4 complex with SARS-CoV-2 RBD
To Be Published
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4ISE
 | | Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide | | Descriptor: | (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | | Authors: | Hosfield, D, Skene, R.J. | | Deposit date: | 2013-01-16 | | Release date: | 2013-03-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
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