PDB: 19129 件ウェブページステータス検索Chemie searchBIRD

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4HXR	Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor 分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide 著者 Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. 登録日 2012-11-12 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
4IA0	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors 分子名称: 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Ren, J, Chen, T, Xu, Y. 登録日 2012-12-05 公開日 2014-01-01 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
4HXS	Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor 分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide 著者 Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. 登録日 2012-11-12 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
4HZ8	Crystal structure of BglB with natural substrate 分子名称: Beta-glucosidase, beta-D-glucopyranose 著者 Hwang, K.Y, Nam, K.H. 登録日 2012-11-14 公開日 2012-12-19 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Structural insights into the substrate recognition properties of beta-glucosidase. Biochem.Biophys.Res.Commun., 391, 2010
4HZK	Crystal structure of free CRM1 (crystal form 2) 分子名称: CRM1 Nuclear transport receptor 著者 Monecke, T, Neumann, P, Dickmanns, A, Ficner, R. 登録日 2012-11-15 公開日 2013-01-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural basis for cooperativity of CRM1 export complex formation. Proc.Natl.Acad.Sci.USA, 110, 2013
4IIT	The Phenylacetyl-CoA monooxygenase PaaABC subcomplex with phenylacetyl-CoA 分子名称: Phenylacetate-CoA oxygenase subunit PaaA, Phenylacetate-CoA oxygenase subunit PaaB, Phenylacetate-CoA oxygenase subunit PaaC, ... 著者 Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) 登録日 2012-12-20 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (4.3 Å) 主引用文献 Family of phenylacetyl-CoA monooxygenases differs in subunit organization from other monooxygenases. J.Struct.Biol., 184, 2013
4IJ2	Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... 著者 Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. 登録日 2012-12-21 公開日 2013-12-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (4.24 Å) 主引用文献 Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus J.Biol.Chem., 289, 2014
4J1M	Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B. 登録日 2013-02-01 公開日 2013-02-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature To be Published
4IRR	Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase 著者 Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. 登録日 2013-01-15 公開日 2014-01-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP To be Published
4IZT	The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing covalent addition of the acetamide moiety of fluoroacetamide at the active site cysteine 分子名称: 2-fluoroacetamide, ACETAMIDE, Amidase 著者 Kimani, S.W, Sewell, B.T. 登録日 2013-01-30 公開日 2014-02-12 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp. To be Published
4J0R	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4IZU	The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing the result of Michael addition of acrylamide at the active site cysteine 分子名称: Amidase, PROPIONAMIDE, prop-2-enamide 著者 Kimani, S.W, Sewell, B.T. 登録日 2013-01-30 公開日 2014-02-12 最終更新日 2014-02-19 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp. To be Published
4ITC	Crystal Structure Analysis of the K1 Cleaved Adhesin domain of Lys-gingipain (Kgp) from Porphyromonas gingivalis W83 分子名称: CALCIUM ION, GLYCEROL, GUANIDINE, ... 著者 Ganuelas, L.A, Li, N, Hunter, N, Collyer, C.A. 登録日 2013-01-18 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The lysine gingipain adhesin domains from Porphyromonas gingivalis interact with erythrocytes and albumin: Structures correlate to function. Eur J Microbiol Immunol (Bp), 3, 2013
4J0S	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4IZS	The C145A mutant of the amidase from Nesterenkonia sp. AN1 in complex with butyramide 分子名称: Amidase, BUTYRAMIDE, DI(HYDROXYETHYL)ETHER 著者 Kimani, S.W, Sewell, B.T. 登録日 2013-01-30 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp. To be Published
4IUN	Crystal structure of Staphylococcal nuclease variant Delta+PHS R126E at cryogenic temperature 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHATE ION, ... 著者 Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B. 登録日 2013-01-21 公開日 2013-02-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of Staphylococcal nuclease variant Delta+PHS R126E at cryogenic temperature To be Published
4IQB	High Resolution Crystal Structure of C.elegans Thymidylate Synthase 分子名称: SULFATE ION, Thymidylate synthase 著者 Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. 登録日 2013-01-11 公開日 2014-01-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
4JDD	14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface 分子名称: 14-3-3 protein sigma, Estrogen receptor Peptide, FUSICOCCIN 著者 Bier, D, Ottmann, C. 登録日 2013-02-25 公開日 2013-05-15 最終更新日 2017-06-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Interaction of 14-3-3 proteins with the estrogen receptor alpha F domain provides a drug target interface. Proc. Natl. Acad. Sci. U.S.A., 110, 2013
4JFD	Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... 著者 Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. 登録日 2013-02-28 公開日 2013-05-29 最終更新日 2013-07-17 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
4J76	Crystal Structure of a parasite tRNA synthetase, ligand-free 分子名称: GLYCEROL, Tryptophanyl-tRNA synthetase 著者 Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2013-02-12 公開日 2013-05-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
4J6H	Crystal structure of Staphylococcal nuclease variant Delta+PHS H121Q at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B. 登録日 2013-02-11 公開日 2013-03-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of Staphylococcal nuclease variant Delta+PHS H121Q at cryogenic temperature TO BE PUBLISHED
4JQ9	Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex 分子名称: CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. 登録日 2013-03-20 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex TO BE PUBLISHED
4JJR	A P21 crystal form of mammalian casein kinase 1 delta 分子名称: Casein kinase I isoform delta 著者 Zeringo, N.A, Bellizzi, J.J. 登録日 2013-03-08 公開日 2013-06-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4078 Å) 主引用文献 A monoclinic crystal form of casein kinase 1 delta Acta Crystallogr.,Sect.F, 69, 2013
4H9V	Structure of Geobacillus kaustophilus lactonase, mutant E101G/R230C with Zn2+ 分子名称: FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... 著者 Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. 登録日 2012-09-25 公開日 2012-11-07 最終更新日 2013-05-22 実験手法 X-RAY DIFFRACTION (1.971 Å) 主引用文献 Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
4HBY	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand 分子名称: 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2012-09-28 公開日 2012-10-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012

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