PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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4NFL	Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T Descriptor: 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... Authors: Pachl, P, Rezacova, P, Brynda, J. Deposit date: 2013-10-31 Release date: 2014-09-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.375 Å) Cite: Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
4NDL	Computational design and experimental verification of a symmetric homodimer Descriptor: ENH-c2b, computational designed homodimer Authors: Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. Deposit date: 2013-10-26 Release date: 2014-11-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Computational design and experimental verification of a symmetric protein homodimer. Proc.Natl.Acad.Sci.USA, 112, 2015
4NL1	Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine Descriptor: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION Authors: Hammoudeh, D.I, White, S.W. Deposit date: 2013-11-13 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase. Acs Chem.Biol., 9, 2014
4NRI	Crystal Structure of a human Mms2/Ubc13 A122G mutant Descriptor: GLYCEROL, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 Authors: Hodge, C.D, Edwards, R.A, Glover, J.N.M. Deposit date: 2013-11-26 Release date: 2014-12-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes. J.Am.Chem.Soc., 136, 2014
4NX4	Re-refinement of CAP-1 HIV-CA complex Descriptor: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... Authors: Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. Deposit date: 2013-12-08 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
4NCU	Foldon domain wild type Descriptor: Fibritin Authors: Graewert, M.A, Reiner, A, Groll, M, Kiefhaber, T. Deposit date: 2013-10-25 Release date: 2014-03-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
4NHV	Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine Descriptor: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION Authors: Hammoudeh, D.I, White, S.W. Deposit date: 2013-11-05 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.992 Å) Cite: Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase. Acs Chem.Biol., 9, 2014
4NIL	Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide Descriptor: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION Authors: Hammoudeh, D.I, White, S.W. Deposit date: 2013-11-06 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase. Acs Chem.Biol., 9, 2014
4NIR	Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol Descriptor: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION Authors: Hammoudeh, D.I, White, S.W. Deposit date: 2013-11-06 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.772 Å) Cite: Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase. Acs Chem.Biol., 9, 2014
4NDB	X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein Descriptor: CALCIUM ION, Calexcitin Authors: Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. Deposit date: 2013-10-25 Release date: 2014-10-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
4P73	PheRS in complex with compound 1a Descriptor: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit Authors: Ferguson, A.D. Deposit date: 2014-03-25 Release date: 2014-06-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.03 Å) Cite: The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
4P2A	Structure of mouse VPS26A bound to rat SNX27 PDZ domain Descriptor: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A Authors: Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B. Deposit date: 2014-03-03 Release date: 2014-09-03 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer. Proc.Natl.Acad.Sci.USA, 111, 2014
4P66	Electrostatics of Active Site Microenvironments of E. coli DHFR Descriptor: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... Authors: Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. Deposit date: 2014-03-21 Release date: 2014-07-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc., 136, 2014
4P7U	Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with NDSB-201 Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, TGF-beta receptor type-2 Authors: Wangkanont, K, Forest, K.T. Deposit date: 2014-03-27 Release date: 2015-06-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.502 Å) Cite: The non-detergent sulfobetaine-201 acts as a pharmacological chaperone to promote folding and crystallization of the type II TGF-beta receptor extracellular domain. Protein Expr.Purif., 115, 2015
4LUV	Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions Descriptor: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit Authors: Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. Deposit date: 2013-07-25 Release date: 2013-12-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
4M5D	Crystal structure of the Utp22 and Rrp7 complex from Saccharomyces cerevisiae Descriptor: Ribosomal RNA-processing protein 7, SULFATE ION, TRIETHYLENE GLYCOL, ... Authors: Lin, J, Ye, K. Deposit date: 2013-08-08 Release date: 2013-11-06 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.97 Å) Cite: An RNA-Binding Complex Involved in Ribosome Biogenesis Contains a Protein with Homology to tRNA CCA-Adding Enzyme. Plos Biol., 11, 2013
4M9P	Crystal structure of the human filamin A Ig-like domains 3-5 Descriptor: Filamin-A Authors: Seppala, J, Pentikainen, U, Ylanne, J. Deposit date: 2013-08-15 Release date: 2014-02-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.72 Å) Cite: A Novel Structural Unit in the N-terminal Region of Filamins. J.Biol.Chem., 289, 2014
4PIK	Crystal Structure of Banana Lectin bound to dimannose Descriptor: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ... Authors: Meagher, J.L, Stuckey, J.A. Deposit date: 2014-05-08 Release date: 2015-11-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity. Cell, 163, 2015
4PE7	Crystal Structure of Calcium-loaded S100B bound to SC1982 Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B Authors: Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. Deposit date: 2014-04-22 Release date: 2014-10-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.652 Å) Cite: Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
4P68	Electrostatics of Active Site Microenvironments for E. coli DHFR Descriptor: ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ... Authors: Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. Deposit date: 2014-03-22 Release date: 2014-07-16 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc., 136, 2014
4P75	PheRS in complex with compound 4a Descriptor: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit Authors: Ferguson, A.D. Deposit date: 2014-03-25 Release date: 2014-06-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.96 Å) Cite: The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
4PDB	CRYSTAL STRUCTURE OF BACILLUS ANTHRACIS RIBOSOMAL PROTEIN S8 IN COMPLEX WITH AN RNA APTAMER Descriptor: 30S ribosomal protein S8, SELEX RNA aptamer Authors: Davlieva, M, Shamoo, Y, Nikonowicz, E.P. Deposit date: 2014-04-17 Release date: 2014-09-03 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure analysis of free and bound states of an RNA aptamer against ribosomal protein S8 from Bacillus anthracis. Nucleic Acids Res., 42, 2014
4P29	Crystal structure of the LpoA N-terminal domain from Haemophilus influenzae Descriptor: CHLORIDE ION, GLYCEROL, LpoA, ... Authors: Vijayalakshmi, J, Saper, M.A. Deposit date: 2014-03-02 Release date: 2015-03-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.95006478 Å) Cite: Structural analyses of theHaemophilus influenzaepeptidoglycan synthase activator LpoA suggest multiple conformations in solution. J.Biol.Chem., 292, 2017
4PCO	Crystal structure of double-stranded RNA with four terminal GU wobble base pairs Descriptor: CHLORIDE ION, COBALT HEXAMMINE(III), RNA (5'-D(*GP*GP*UP*GP*GP*CP*UP*GP*UP*U)-3') Authors: Mooers, B.H.M. Deposit date: 2014-04-15 Release date: 2015-10-14 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Structures and Energetics of Four Adjacent GU Pairs That Stabilize an RNA Helix. J.Phys.Chem.B, 119, 2015
4P72	PheRS in complex with compound 2a Descriptor: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit Authors: Ferguson, A.D. Deposit date: 2014-03-25 Release date: 2014-06-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.62 Å) Cite: The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014

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