PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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7T3F	Development of BRD4 inhibitors as arsenicals antidotes 分子名称: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL 著者 Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. 登録日 2021-12-07 公開日 2022-08-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals. Bioorg.Med.Chem.Lett., 64, 2022
7T5Z	P. aeruginosa LpxA in complex with ligand L8 分子名称: (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER 著者 Sacco, M, Chen, Y. 登録日 2021-12-13 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
7TM2	Porous framework formed by assembly of a bipyridyl-conjugated helical peptide 分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, helical peptide, ... 著者 Nguyen, A.I. 登録日 2022-01-19 公開日 2022-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.88 Å) 主引用文献 Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
7R04	Neurofibromin in open conformation 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform I of Neurofibromin 著者 Chaker-Margot, M, Scheffzek, K, Maier, T. 登録日 2022-02-01 公開日 2022-03-30 最終更新日 2022-04-20 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structural basis of activation of the tumor suppressor protein neurofibromin. Mol.Cell, 82, 2022
7R03	Neurofibromin occluded conformation 分子名称: Isoform I of Neurofibromin 著者 Chaker-Margot, M, Scheffzek, K, Maier, T. 登録日 2022-02-01 公開日 2022-03-30 最終更新日 2022-04-20 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Structural basis of activation of the tumor suppressor protein neurofibromin. Mol.Cell, 82, 2022
8G9V	Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13 分子名称: 17-beta-hydroxysteroid dehydrogenase 13, 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Liu, S. 登録日 2023-02-22 公開日 2023-08-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.645 Å) 主引用文献 Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
5BRV	Catalytic Improvement of an Artificial Metalloenzyme by Computational Design 分子名称: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride 著者 Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. 登録日 2015-06-01 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
4O1B	The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... 著者 Oh, A, Coons, M, Brillantes, B, Wang, W. 登録日 2013-12-15 公開日 2014-10-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
4FKT	Crystal structure of the cdk2 in complex with oxindole inhibitor 分子名称: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2013-05-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
4O1D	Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors 分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... 著者 Oh, A, Coons, M, Brillantes, B, Wang, W. 登録日 2013-12-15 公開日 2014-10-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.705 Å) 主引用文献 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
4FKQ	Crystal structure of the cdk2 in complex with oxindole inhibitor 分子名称: 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
4FQO	Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 分子名称: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B 著者 McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. 登録日 2012-06-25 公開日 2012-10-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B. ACS Med Chem Lett, 3, 2012
3HA8	THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b 分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide 著者 Zhao, B, Clark, M.A. 登録日 2009-05-01 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
4FB5	Crystal structure of a probable oxidoreduxtase protein 分子名称: Probable oxidoreductase protein 著者 Eswaramoorthy, S, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2012-05-22 公開日 2012-08-15 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Crystal structure of a probable oxidoreduxtase protein To be Published
4OBG	Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate. 分子名称: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ... 著者 Kolli, M. 登録日 2014-01-07 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
4FIM	Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, C-terminal peptide from Lactotransferrin, ... 著者 Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. 登録日 2012-06-09 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution To be Published
4F8L	X-ray structure of PsaA from Yersinia pestis, in complex with galactose and AEBSF 分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, BROMIDE ION, GLYCINE, ... 著者 Bao, R, Esser, L, Xia, D. 登録日 2012-05-17 公開日 2013-05-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
4F8O	X-ray structure of PsaA from Yersinia pestis, in complex with lactose and AEBSF 分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, GUANIDINE, ... 著者 Bao, R, Esser, L, Xia, D. 登録日 2012-05-17 公開日 2013-05-22 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
4OBJ	Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Kolli, M. 登録日 2014-01-07 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
4OBF	Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Kolli, M. 登録日 2014-01-07 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
3HJZ	The structure of an aldolase from Prochlorococcus marinus 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Singer, A.U, Xu, X, Cui, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-05-22 公開日 2009-06-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Phage auxiliary metabolic genes and the redirection of cyanobacterial host carbon metabolism. Proc.Natl.Acad.Sci.USA, 108, 2011
3V3S	Crystal structure of GES-18 分子名称: Extended spectrum beta-lactamase GES-18 著者 Delbruck, H, Hoffmann, K.M.V, Bebrone, C. 登録日 2011-12-14 公開日 2012-11-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 GES-18, a new carbapenem-hydrolyzing GES-Type beta-lactamase from pseudomonas aeruginosa that contains Ile80 and Ser170 residues. Antimicrob.Agents Chemother., 57, 2013
3ZP9	Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase 分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, MERCURIBENZOIC ACID, ... 著者 Heinisch, T, Schirmer, T. 登録日 2013-02-27 公開日 2013-10-30 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Human Carbonic Anhydrase II as Host Protein for the Creation of Artificial Metalloenzymes: The Asymmetric Transfer Hydrogenation of Imines Chem.Sci., 4, 2013
6NMZ	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D 分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... 著者 Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. 登録日 2019-01-14 公開日 2020-01-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D To Be Published
6NLZ	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D 分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... 著者 Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. 登録日 2019-01-10 公開日 2020-01-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D To Be Published

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