PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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6NX5	Crystal structure of the RRM domain of S. pombe Puf1 in the P21 space group 分子名称: 1,2-ETHANEDIOL, Pumilio domain-containing protein C56F2.08c 著者 Qiu, C, Hall, T.M.T. 登録日 2019-02-08 公開日 2019-07-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.554 Å) 主引用文献 Distinct RNA-binding modules in a single PUF protein cooperate to determine RNA specificity. Nucleic Acids Res., 47, 2019
8Z62	Crystal structure of rRNA (uracil-C5)-methyltransferase from Pyrococcus horikoshii OT3 分子名称: 1,2-ETHANEDIOL, 23S rRNA (uracil(747)-C(5))-methyltransferase, DI(HYDROXYETHYL)ETHER, ... 著者 Saha, S, Kanaujia, S.P. 登録日 2024-04-18 公開日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Decoding Substrate Selectivity of an Archaeal RlmCD-like Methyltransferase Through Its Salient Traits. Biochemistry, 63, 2024
8DB0	Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and DMSPP 分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... 著者 Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. 登録日 2022-06-14 公開日 2022-09-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
8D76	Crystal Structure of EGFR LRTM with compound 24 分子名称: (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL 著者 Kim, J.L. 登録日 2022-06-07 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
7RAG	Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein 分子名称: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ... 著者 Eckenroth, B.E, Doublie, S. 登録日 2021-07-01 公開日 2021-09-08 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation. Plos Genet., 17, 2021
4X22	Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM) 分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Triosephosphate isomerase 著者 Pareek, V, Balaram, P, Murthy, M.R.N. 登録日 2014-11-25 公開日 2016-02-10 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.084 Å) 主引用文献 Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme Chembiochem, 17, 2016
6OO8	Dehaloperoxidase B in complex with substrate pentachlorophenol 分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ... 著者 Ghiladi, R.A, de Serrano, V.S, Malewschik, T. 登録日 2019-04-22 公開日 2020-04-29 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
6OHO	Structure of human Phospholipase D2 catalytic domain 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Phospholipase D2, ... 著者 Metrick, C.M, Chodaparambil, J.V. 登録日 2019-04-06 公開日 2020-02-19 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human PLD structures enable drug design and characterization of isoenzyme selectivity. Nat.Chem.Biol., 16, 2020
3LJM	Structure of de novo designed apo peptide coil SER L9C 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, COIL SER L9C, ... 著者 Chakraborty, S. 登録日 2010-01-26 公開日 2010-09-15 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structural comparisons of apo- and metalated three-stranded coiled coils clarify metal binding determinants in thiolate containing designed peptides. J.Am.Chem.Soc., 132, 2010
6OA3	Structure of human PARG complexed with JA2131 分子名称: (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase 著者 Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. 登録日 2019-03-15 公開日 2019-12-25 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
4WZ8	Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6 分子名称: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase 著者 Vajdos, F.F. 登録日 2014-11-18 公開日 2014-12-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes. J.Med.Chem., 57, 2014
4WW8	Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-11-10 公開日 2015-07-01 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
8DNJ	Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... 著者 Mohr, C. 登録日 2022-07-11 公開日 2022-08-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
6OGV	X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state 分子名称: Protease 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier To Be Published
6WUF	Crystal structure of mouse DXO in complex with 3'-FADP 分子名称: 1,2-ETHANEDIOL, Decapping and exoribonuclease protein, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) 著者 Doamekpor, S.K, Tong, L. 登録日 2020-05-04 公開日 2020-05-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 DXO/Rai1 enzymes remove 5'-end FAD and dephospho-CoA caps on RNAs. Nucleic Acids Res., 48, 2020
5N5S	Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ 分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. 登録日 2017-02-14 公開日 2017-08-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase. Plant J., 92, 2017
6WYY	Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Glu at pH 6.5 分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, GLYCEROL, ... 著者 Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. 登録日 2020-05-13 公開日 2020-10-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria. Sci Rep, 10, 2020
8D11	Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine 分子名称: 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-26 公開日 2022-12-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14, 2023
8RPA	Crystal structure of Zea mays adenosine kinase 3 (ZmADK3) in complex with AP5A 分子名称: 1,2-ETHANEDIOL, Adenosine kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... 著者 Morera, S, Kopecny, D, Vigouroux, A. 登録日 2024-01-13 公開日 2025-01-29 最終更新日 2025-09-03 実験手法 X-RAY DIFFRACTION (2.261 Å) 主引用文献 A monomer-dimer switch modulates the activity of plant adenosine kinase. J.Exp.Bot., 76, 2025
6OMY	Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state 分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 著者 Cui, D.S, Lipchock, J.M, Loria, J.P. 登録日 2019-04-19 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
7PK3	Notum_ARUK3001185 分子名称: 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y. 登録日 2021-08-25 公開日 2022-09-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
6QY9	Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor 分子名称: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ... 著者 Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M. 登録日 2019-03-08 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor To Be Published
4XEG	Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... 著者 Pozharski, E, Malik, S.S, Drohat, A.C. 登録日 2014-12-23 公開日 2015-09-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
8F9J	H64A swMb-PrNO adduct 分子名称: 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Herrera, V.E, Thomas, L.M. 登録日 2022-11-23 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
4XF6	myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate) 分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Nagata, R, Fujihashi, M, Miki, K. 登録日 2014-12-26 公開日 2015-06-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation Biochemistry, 54, 2015

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