PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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4NFL	Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T 分子名称: 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, ... 著者 Pachl, P, Rezacova, P, Brynda, J. 登録日 2013-10-31 公開日 2014-09-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.375 Å) 主引用文献 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 分子名称: ENH-c2b, computational designed homodimer 著者 Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. 登録日 2013-10-26 公開日 2014-11-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 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 分子名称: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION 著者 Hammoudeh, D.I, White, S.W. 登録日 2013-11-13 公開日 2014-05-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: GLYCEROL, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 著者 Hodge, C.D, Edwards, R.A, Glover, J.N.M. 登録日 2013-11-26 公開日 2014-12-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... 著者 Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. 登録日 2013-12-08 公開日 2014-02-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
4NCU	Foldon domain wild type 分子名称: Fibritin 著者 Graewert, M.A, Reiner, A, Groll, M, Kiefhaber, T. 登録日 2013-10-25 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 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 分子名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION 著者 Hammoudeh, D.I, White, S.W. 登録日 2013-11-05 公開日 2014-05-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.992 Å) 主引用文献 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 分子名称: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION 著者 Hammoudeh, D.I, White, S.W. 登録日 2013-11-06 公開日 2014-05-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 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 分子名称: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION 著者 Hammoudeh, D.I, White, S.W. 登録日 2013-11-06 公開日 2014-05-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.772 Å) 主引用文献 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 分子名称: CALCIUM ION, Calexcitin 著者 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. 登録日 2013-10-25 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: 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 著者 Ferguson, A.D. 登録日 2014-03-25 公開日 2014-06-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.03 Å) 主引用文献 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 分子名称: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A 著者 Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B. 登録日 2014-03-03 公開日 2014-09-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 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 分子名称: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... 著者 Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. 登録日 2014-03-21 公開日 2014-07-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 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 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, TGF-beta receptor type-2 著者 Wangkanont, K, Forest, K.T. 登録日 2014-03-27 公開日 2015-06-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.502 Å) 主引用文献 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 分子名称: 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 著者 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. 登録日 2013-07-25 公開日 2013-12-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 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 分子名称: Ribosomal RNA-processing protein 7, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 Lin, J, Ye, K. 登録日 2013-08-08 公開日 2013-11-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 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 分子名称: Filamin-A 著者 Seppala, J, Pentikainen, U, Ylanne, J. 登録日 2013-08-15 公開日 2014-02-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 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 分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ... 著者 Meagher, J.L, Stuckey, J.A. 登録日 2014-05-08 公開日 2015-11-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity. Cell, 163, 2015
4PE7	Crystal Structure of Calcium-loaded S100B bound to SC1982 分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B 著者 Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. 登録日 2014-04-22 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.652 Å) 主引用文献 Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
4P68	Electrostatics of Active Site Microenvironments for E. coli DHFR 分子名称: ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ... 著者 Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. 登録日 2014-03-22 公開日 2014-07-16 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 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 分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit 著者 Ferguson, A.D. 登録日 2014-03-25 公開日 2014-06-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 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 分子名称: 30S ribosomal protein S8, SELEX RNA aptamer 著者 Davlieva, M, Shamoo, Y, Nikonowicz, E.P. 登録日 2014-04-17 公開日 2014-09-03 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 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 分子名称: CHLORIDE ION, GLYCEROL, LpoA, ... 著者 Vijayalakshmi, J, Saper, M.A. 登録日 2014-03-02 公開日 2015-03-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.95006478 Å) 主引用文献 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 分子名称: CHLORIDE ION, COBALT HEXAMMINE(III), RNA (5'-D(*GP*GP*UP*GP*GP*CP*UP*GP*UP*U)-3') 著者 Mooers, B.H.M. 登録日 2014-04-15 公開日 2015-10-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 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 分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit 著者 Ferguson, A.D. 登録日 2014-03-25 公開日 2014-06-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014

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