PDB: 38176 件ウェブページステータス検索Chemie searchBIRD

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4K2Y	Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... 著者 Collins, B.K, Padyana, A.K. 登録日 2013-04-09 公開日 2013-05-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
3C7P	Crystal structure of human carbonic anhydrase II in complex with STX237 分子名称: (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ... 著者 Di Fiore, A, De Simone, G. 登録日 2008-02-08 公開日 2009-01-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography Mol.Cancer Ther., 7, 2008
6YOI	Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
2XMV	Copper chaperone Atx1 from Synechocystis PCC6803 (Cu1, trimeric form, His61Tyr mutant) 分子名称: COPPER (I) ION, SSR2857 PROTEIN 著者 Badarau, A, Firbank, S.J, McCarthy, A.A, Banfield, M.J, Dennison, C. 登録日 2010-07-29 公開日 2010-08-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Visualizing the Metal-Binding Versatility of Copper Trafficking Sites . Biochemistry, 49, 2010
4KNI	Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
3ISC	Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA 分子名称: 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... 著者 Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. 登録日 2009-08-25 公開日 2009-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
4ZO1	Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha 分子名称: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ... 著者 Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W. 登録日 2015-05-05 公開日 2015-09-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.221 Å) 主引用文献 Structural mechanism for signal transduction in RXR nuclear receptor heterodimers. Nat Commun, 6, 2015
5HSH	Crystal structure of the G291R mutant of human phosphoglucomutase 1 分子名称: Phosphoglucomutase-1, SULFATE ION 著者 Stiers, K.M, Beamer, L.J. 登録日 2016-01-25 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency. J.Mol.Biol., 428, 2016
2XKQ	Crystal structure of Streptococcus suis Dpr with manganese 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. 登録日 2010-07-12 公開日 2010-11-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
3IBL	The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ... 著者 Alterio, V, De Simone, G. 登録日 2009-07-16 公開日 2009-09-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors J.Med.Chem., 52, 2009
6V9V	Structure of TRPA1 modified by Bodipy-iodoacetamide with bound calcium, LMNG 分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily A member 1, ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide 著者 Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D. 登録日 2019-12-16 公開日 2020-05-06 最終更新日 2020-09-16 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Irritant-evoked activation and calcium modulation of the TRPA1 receptor. Nature, 585, 2020
6SEV	Structure of Dps from Listeria innocua soaked with 10 mM zinc for 120 minutes 分子名称: DNA starvation/stationary phase protection protein, ZINC ION 著者 Zeth, K, Okuda, M. 登録日 2019-07-30 公開日 2019-09-25 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Metal Positions and Translocation Pathways of the Dodecameric Ferritin-like Protein Dps. Inorg.Chem., 58, 2019
6S96	Crystal structure of the catalytic domain of UBE2S C118A. 分子名称: FORMIC ACID, SODIUM ION, Ubiquitin-conjugating enzyme E2 S 著者 Liess, A.K.L, Lorenz, S. 登録日 2019-07-11 公開日 2020-10-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S. Sci.Signal., 13, 2020
5HZR	Crystal structure of MtSnf2 分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, SNF2-family ATP dependent chromatin remodeling factor like protein, SODIUM ION, ... 著者 Chen, Z.C, Xia, X. 登録日 2016-02-02 公開日 2016-07-20 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structure of chromatin remodeler Swi2/Snf2 in the resting state Nat.Struct.Mol.Biol., 23, 2016
2FHA	HUMAN H CHAIN FERRITIN 分子名称: CALCIUM ION, FERRITIN 著者 Hempstead, P.D, Artymiuk, P.J, Harrison, P.M. 登録日 1997-03-03 公開日 1997-09-04 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Comparison of the three-dimensional structures of recombinant human H and horse L ferritins at high resolution. J.Mol.Biol., 268, 1997
6S9X	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2019-07-15 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58, 2019
5HQ8	Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... 著者 Elkins, P.A, Bonnette, W.G. 登録日 2016-01-21 公開日 2016-03-30 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets. Structure, 24, 2016
6SAS	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
5HR0	Crystal structure of thioredoxin E101G mutant 分子名称: COPPER (II) ION, Thioredoxin 著者 Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. 登録日 2016-01-22 公開日 2017-02-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
5DJI	Structure of M. tuberculosis CysQ, a PAP phosphatase with AMP, PO4, and 2Mg bound 分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... 著者 Fisher, A.J, Erickson, A.I. 登録日 2015-09-02 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.659 Å) 主引用文献 Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound. Biochemistry, 54, 2015
6SD7	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide, 2,3,4,5,6-pentafluorobenzenesulfonamide, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-26 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
3CTY	Crystal structure of T. acidophilum thioredoxin reductase 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 著者 Hernandez, H.H, Drennan, C.L. 登録日 2008-04-14 公開日 2009-02-24 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Thioredoxin reductase from Thermoplasma acidophilum: a new twist on redox regulation. Biochemistry, 47, 2008
6SDH	Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Gloeckner, S, Haake, M, Heine, A, Klebe, G. 登録日 2019-07-27 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM To Be Published
3LQL	Human Aldose Reductase mutant T113A complexed with IDD 594 分子名称: Aldose reductase, BROMIDE ION, CITRIC ACID, ... 著者 Koch, C, Heine, A, Klebe, G. 登録日 2010-02-09 公開日 2010-12-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
3CHF	Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tetrapeptide 分子名称: Argifin, Chitinase, SULFATE ION 著者 Andersen, O.A, van Aalten, D.M.F. 登録日 2008-03-09 公開日 2008-03-25 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin. Chem.Biol., 15, 2008

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