4DLB
 
 | | Structure of S-nitrosoglutathione reductase from tomato (Solanum lycopersicum) crystallized in presence of NADH and glutathione | | Descriptor: | Alcohol dehydrogenase class III, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kopecny, D, Tylichova, M, Briozzo, P. | | Deposit date: | 2012-02-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional characterization of a plant S-nitrosoglutathione reductase from Solanum lycopersicum.
Biochimie, 95, 2013
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4DM6
 | | Crystal structure of RARb LBD homodimer in complex with TTNPB | | Descriptor: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta | | Authors: | Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. | | Deposit date: | 2012-02-07 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DO8
 | | Crystal structure of the muscarinic toxin MT1 | | Descriptor: | ACETATE ION, Muscarinic toxin 1, THIOCYANATE ION | | Authors: | Fruchart-Gaillard, C, Mournier, G, Vera, L, Servent, D, Stura, E.A. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
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3TBY
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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4EHV
 | | Human p38 MAP kinase in complex with NP-F10 and RL87 | | Descriptor: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-04 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EL6
 | | Crystal structure of IPSE/alpha-1 from Schistosoma mansoni eggs | | Descriptor: | IL-4-inducing protein | | Authors: | Mayerhofer, H, Meyer, H, Tripsianes, K, Barths, D, Blindow, S, Bade, S, Madl, T, Frey, A, Haas, H, Sattler, M, Schramm, G, Mueller-Dieckmann, J. | | Deposit date: | 2012-04-10 | | Release date: | 2013-04-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure and functional analysis of IPSE/alpha-1, an IL-4-inducing factor secreted from Schistosoma mansoni eggs, reveals an IgE-binding crystallin fold
To be Published
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3T2N
 | | Human hepsin protease in complex with the Fab fragment of an inhibitory antibody | | Descriptor: | Antibody, Fab fragment, Heavy Chain, ... | | Authors: | Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2012-07-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric antibody inhibition of human hepsin protease.
Biochem.J., 442, 2012
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4EO4
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with seryl sulfamoyl adenylate | | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Threonine--tRNA ligase, mitochondrial, ... | | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Soll, D, Simonovic, M. | | Deposit date: | 2012-04-13 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The mechanism of pre-transfer editing in yeast mitochondrial threonyl-tRNA synthetase.
J.Biol.Chem., 287, 2012
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4EOK
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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3SQS
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4EOS
 | | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EPQ
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3T70
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | Deposit date: | 2011-07-29 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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3T8U
 | | Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni | | Descriptor: | SULFATE ION, Steroid Delta-isomerase | | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | | Deposit date: | 2011-08-01 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase.
J.Am.Chem.Soc., 133, 2011
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3TL0
 | | Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide | | Descriptor: | RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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3TLQ
 | | Crystal structure of EAL-like domain protein YdiV | | Descriptor: | GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV | | Authors: | Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L. | | Deposit date: | 2011-08-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
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4EGY
 | | Crystal Structure of AraR(DBD) in complex with operator ORA1 | | Descriptor: | 5'-D(*AP*AP*AP*AP*TP*TP*GP*TP*TP*CP*GP*TP*AP*CP*AP*AP*AP*TP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*AP*TP*TP*TP*GP*TP*AP*CP*GP*AP*AP*CP*AP*AP*TP*TP*T)-3', ACETATE ION, ... | | Authors: | Jain, D, Nair, D.T. | | Deposit date: | 2012-04-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
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4EH4
 | | Human p38 MAP kinase in complex with NP-F3 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EJ1
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3TKC
 | | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | Authors: | Huet, T, Moras, D, Rochel, N. | | Deposit date: | 2011-08-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
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4CG4
 | | Crystal structure of the CHS-B30.2 domains of TRIM20 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, PYRIN, ... | | Authors: | Weinert, C, Morger, D, Djekic, A, Mittl, P.R.E, Gruetter, M.G. | | Deposit date: | 2013-11-20 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Trim20 C-Terminal Coiled-Coil/B30.2 Fragment: Implications for the Recognition of Higher Order Oligomers
Sci.Rep., 5, 2015
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4CYL
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4CUF
 | | Human Notch1 EGF domains 11-13 mutant T466S | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | Deposit date: | 2014-03-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CMM
 | | Structure of human CD47 in complex with human Signal Regulatory Protein (SIRP) alpha v1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LEUKOCYTE SURFACE ANTIGEN CD47, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1 | | Authors: | Hatherley, D, Lea, S.M, Johnson, S, Barclay, A.N. | | Deposit date: | 2014-01-16 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Polymorphisms in the Human Inhibitory Signal-Regulatory Protein Alpha Do not Affect Binding to its Ligand Cd47.
J.Biol.Chem., 289, 2014
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4CWS
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | Descriptor: | 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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