4ASE
 
 | | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | Deposit date: | 2012-04-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1AM6
 | | CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE | | Descriptor: | ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Scolnick, L.R, Clements, A.M, Christianson, D.W. | | Deposit date: | 1997-06-24 | | Release date: | 1998-06-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II
J.Am.Chem.Soc., 119, 1997
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4BIP
 | | Homology model of coxsackievirus A7 (CAV7) full capsid proteins. | | Descriptor: | VP1, VP2, VP3 | | Authors: | Seitsonen, J.J.T, Shakeel, S, Susi, P, Pandurangan, A.P, Sinkovits, R.S, Hyvonen, H, Laurinmaki, P, Yla-Pelto, J, Topf, M, Hyypia, T, Butcher, S.J. | | Deposit date: | 2013-04-12 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.23 Å) | | Cite: | Combined Approaches to Flexible Fitting and Assessment in Virus Capsids Undergoing Conformational Change.
J.Struct.Biol., 185, 2014
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2CFG
 | | AGAO in complex with wc4d3 (Ru-wire inhibitor, 4-carbon linker, delta enantiomer, data set 3) | | Descriptor: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM, COPPER (II) ION, GLYCEROL, ... | | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | | Deposit date: | 2006-02-21 | | Release date: | 2007-05-01 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
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4BDO
 | | Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with kainate | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... | | Authors: | Nayeem, N, Mayans, O, Green, T. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
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4BDR
 | | Crystal structure of the GluK2 R775A LBD dimer in complex with kainate | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | | Authors: | Nayeem, N, Mayans, O, Green, T. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
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4BDM
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4BAE
 | | Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | | Deposit date: | 2012-09-13 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
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4BDQ
 | | Crystal structure of the GluK2 R775A LBD dimer in complex with glutamate | | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | | Authors: | Nayeem, N, Mayans, O, Green, T. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
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2ZCR
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-698 | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E. | | Deposit date: | 2007-11-11 | | Release date: | 2008-03-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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4BDN
 | | Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with glutamate | | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | | Authors: | Nayeem, N, Mayans, O, Green, T. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
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3C7Q
 | | Structure of VEGFR2 kinase domain in complex with BIBF1120 | | Descriptor: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | | Authors: | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | | Deposit date: | 2008-02-08 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
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3C8P
 | | X-ray structure of Viscotoxin A1 from Viscum album L. | | Descriptor: | Viscotoxin A1 | | Authors: | Pal, A, Debreczeni, J.E, Sevvana, M, Gruene, T, Kahle, B, Zeeck, A, Sheldrick, G.M. | | Deposit date: | 2008-02-13 | | Release date: | 2008-06-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone
Acta Crystallogr.,Sect.D, 64, 2008
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3CCK
 | | Human CD69 | | Descriptor: | CHLORIDE ION, Early activation antigen CD69 | | Authors: | Brynda, J, Vanek, O, Rezacova, P. | | Deposit date: | 2008-02-26 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice
Febs J., 275, 2008
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3CBB
 | | Crystal Structure of Hepatocyte Nuclear Factor 4alpha in complex with DNA: Diabetes Gene Product | | Descriptor: | Hepatocyte Nuclear Factor 4-alpha promoter element DNA, Hepatocyte Nuclear Factor 4-alpha, DNA binding domain, ... | | Authors: | Lu, P, Rha, G.B, Melikishvili, M, Adkins, B.C, Fried, M.G, Chi, Y.I. | | Deposit date: | 2008-02-21 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of natural promoter recognition by a unique nuclear receptor, HNF4alpha. Diabetes gene product.
J.Biol.Chem., 283, 2008
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3ZYP
 | | Cellulose induced protein, Cip1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CIP1, ... | | Authors: | Jacobson, F, Karkehabadi, S, Hansson, H, Goedegebuur, F, Wallace, L, Mitchinson, C, Piens, K, Stals, I, Sandgren, M. | | Deposit date: | 2011-08-24 | | Release date: | 2012-09-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Crystal Structure of the Core Domain of a Cellulose Induced Protein (Cip1) from Hypocrea Jecorina, at 1.5 A Resolution.
Plos One, 8, 2013
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2FLD
 | | I-MsoI Re-Designed for Altered DNA Cleavage Specificity | | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*TP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | | Authors: | Ashworth, J, Duarte, C.M, Havranek, J.J, Sussman, D, Monnat, R.J, Stoddard, B.L, Baker, D. | | Deposit date: | 2006-01-05 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational redesign of endonuclease DNA binding and cleavage specificity.
Nature, 441, 2006
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3HB5
 | | Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy | | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mazumdar, M, Lin, S.-X. | | Deposit date: | 2009-05-04 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
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4A0O
 | | Symmetry-free cryo-EM map of TRiC in the nucleotide-free (apo) state | | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | | Deposit date: | 2011-09-10 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10.5 Å) | | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
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2Z5U
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4BMB
 | | Crystal structure of the N terminal domain of human Galectin 8 | | Descriptor: | GALECTIN-8, GLYCEROL, SODIUM ION, ... | | Authors: | Buzamet, E, Ruiz, F.M, Menendez, M, Romero, A, Gabius, H.J, Solis, D. | | Deposit date: | 2013-05-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Natural Single Amino Acid Polymorphism (F19Y) in Human Galectin-8: Detection of Structural Alterations and Increased Growth-Regulatory Activity on Tumor Cells.
FEBS J., 281, 2014
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3CWX
 | | Crystal structure of cagd from helicobacter pylori pathogenicity island | | Descriptor: | protein CagD | | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
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2FKJ
 | | The crystal structure of engineered OspA | | Descriptor: | Outer Surface Protein A | | Authors: | Makabe, K, Terechko, V, Gawlak, G, Yan, S, Koide, S. | | Deposit date: | 2006-01-04 | | Release date: | 2006-11-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Atomic structures of peptide self-assembly mimics.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3D5X
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with wortmannin. | | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Polo-like kinase 1 | | Authors: | Elling, R.A, Fucini, R.V, Romanowski, M.J. | | Deposit date: | 2008-05-17 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
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2CG0
 | | AGAO in complex with wc9a (Ru-wire inhibitor, 9-carbon linker, data set a) | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | | Deposit date: | 2006-02-27 | | Release date: | 2007-05-01 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
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