3E3E
 
 | | Human Thioredoxin Double Mutant C35S,C73R | | Descriptor: | HEXAETHYLENE GLYCOL, Thioredoxin | | Authors: | Hall, G, Emsley, J. | | Deposit date: | 2008-08-07 | | Release date: | 2010-03-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of human thioredoxin exhibits a large conformational change.
Protein Sci., 19, 2010
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4HVL
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4DUD
 | | cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9C6 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4HVW
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4DUC
 | | cytochrome P450 BM3h-2G9 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DW2
 | | The crystal structure of uPA in complex with the Fab fragment of mAb-112 | | Descriptor: | Fab fragment of pro-uPA antibody mAb-112, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Jiang, L, Botkjaer, K.A, Andersen, L.M, Yuan, C, Andreasen, P.A, Huang, M. | | Deposit date: | 2012-02-24 | | Release date: | 2013-01-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Rezymogenation of active urokinase induced by an inhibitory antibody.
Biochem.J., 449, 2013
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4DX1
 | | Crystal structure of the human TRPV4 ankyrin repeat domain | | Descriptor: | GLYCEROL, PHOSPHATE ION, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Inada, H, Gaudet, R. | | Deposit date: | 2012-02-27 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel.
Biochemistry, 51, 2012
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4B05
 | | Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease | | Descriptor: | (1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Jeppsson, F, Eketjall, S, Janson, J, Karlstrom, S, Gustavsson, S, Olsson, L.L, Radesater, A.C, Ploeger, B, Cebers, G, Kolmodin, K, Swahn, B.M, von Berg, S, Bueters, T, Falting, J. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.
J. Biol. Chem., 287, 2012
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4AYA
 | | Crystal structure of ID2 HLH homodimer at 2.1A resolution | | Descriptor: | ACETATE ION, DNA-BINDING PROTEIN INHIBITOR ID-2, POTASSIUM ION | | Authors: | Wong, M.V, Jiang, S, Palasingam, P, Kolatkar, P.R. | | Deposit date: | 2012-06-19 | | Release date: | 2012-11-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | A Divalent Ion is Crucial in the Structure and Dominant-Negative Function of Id Proteins, a Class of Helix-Loop-Helix Transcription Regulators.
Plos One, 7, 2012
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4B4I
 | | 1.20 A Structure of Lysozyme Crystallized with (S)-2-methyl-2,4- pentanediol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, LYSOZYME C | | Authors: | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
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3EBS
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3EBA
 | | CAbHul6 FGLW mutant (humanized) in complex with human lysozyme | | Descriptor: | CAbHul6, Lysozyme C, SULFATE ION | | Authors: | Loris, R, Vincke, C, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K. | | Deposit date: | 2008-08-27 | | Release date: | 2008-12-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | General Strategy to Humanize a Camelid Single-domain Antibody and Identification of a Universal Humanized Nanobody Scaffold
J.Biol.Chem., 284, 2009
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3ED3
 | | Crystal Structure of the Yeast Dithiol/Disulfide Oxidoreductase Mpd1p | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Protein disulfide-isomerase MPD1 | | Authors: | Vitu, E, Greenblatt, H.M, Fass, D. | | Deposit date: | 2008-09-02 | | Release date: | 2008-11-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Yeast Mpd1p reveals the structural diversity of the protein disulfide isomerase family
J.Mol.Biol., 384, 2008
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3ZEK
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4IAX
 | | Engineered human lipocalin 2 (CL31) in complex with Y-DTPA | | Descriptor: | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION | | Authors: | Eichinger, A, Skerra, A. | | Deposit date: | 2012-12-07 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
J.Struct.Biol., 185, 2014
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4HVU
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3EG3
 | | Crystal structure of the N114A mutant of ABL-SH3 domain | | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Camara-Artigas, A. | | Deposit date: | 2008-09-10 | | Release date: | 2009-09-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
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3ZOV
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | Descriptor: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-02-25 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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3EKB
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3EKU
 | | Crystal Structure of Monomeric Actin bound to Cytochalasin D | | Descriptor: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ... | | Authors: | Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M. | | Deposit date: | 2008-09-19 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
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3ZPR
 | | Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound | | Descriptor: | 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | | Deposit date: | 2013-03-01 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
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3ZOO
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4HZZ
 | | Crystal structure of influenza neuraminidase N3-H274Y complexed with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, Q, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2012-11-16 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance.
J.Virol., 87, 2013
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0F
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