PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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6F29	Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A 分子名称: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... 著者 Venskutonyte, R, Frydenvang, K, Kastrup, J.S. 登録日 2017-11-23 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
7AOP	Structure of NUDT15 in complex with inhibitor TH8321 分子名称: 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 著者 Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. 登録日 2020-10-14 公開日 2021-06-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
6F2P	Structure of Paenibacillus xanthan lyase to 2.6 A resolution 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Lo Leggio, L, Kadziola, A. 登録日 2017-11-27 公開日 2018-12-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity. Cell Chem Biol, 26, 2019
7AYV	X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... 著者 Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. 登録日 2020-11-13 公開日 2021-08-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
7AI3	Crystal structure of MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv 分子名称: Mce-family protein Mce4A 著者 Asthana, P, Venkatesan, R. 登録日 2020-09-25 公開日 2021-08-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis . Iucrj, 8, 2021
7AI2	Crystal structure of Se-Met labelled MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv 分子名称: Mce-family protein Mce4A 著者 Asthana, P, Venkatesan, R. 登録日 2020-09-25 公開日 2021-08-25 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (3.61 Å) 主引用文献 Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis . Iucrj, 8, 2021
6EYM	Neutron crystal structure of perdeuterated galectin-3C in complex with lactose 分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. 登録日 2017-11-13 公開日 2018-09-12 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION 主引用文献 Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
6F6Y	Crystal structure of galectin-3 CRD in complex with galactopentaose 分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose 著者 Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T. 登録日 2017-12-06 公開日 2018-12-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3 To Be Published
6F28	Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A 分子名称: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... 著者 Venskutonyte, R, Frydenvang, K, Kastrup, J.S. 登録日 2017-11-23 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
6ZPE	Nonstructural protein 10 (nsp10) from SARS CoV-2 分子名称: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ... 著者 Fisher, S.Z, Kozielski, F. 登録日 2020-07-08 公開日 2020-10-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2. Int J Mol Sci, 21, 2020
6FJJ	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z. 登録日 2018-01-22 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
6FJI	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo). 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z. 登録日 2018-01-22 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
7A7B	Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr 著者 Hammerstad, M, Hersleth, H.-P. 登録日 2020-08-27 公開日 2020-12-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase. Biochemistry, 59, 2020
6FSD	Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... 著者 Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. 登録日 2018-02-19 公開日 2018-10-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
6GCE	DNA binding domain of restriction endonuclease McrBC in complex with 5-formylcytosine DNA 分子名称: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5FC)P*CP*GP*GP*TP*CP*TP*C)-3') 著者 Sasnauskas, G. 登録日 2018-04-17 公開日 2018-09-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC. FEBS Lett., 592, 2018
7B9L	MEK1 in complex with compound 23 分子名称: Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ... 著者 Kack, H, Oster, L. 登録日 2020-12-14 公開日 2021-03-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
7APR	Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr 著者 Hammerstad, M, Hersleth, H.-P. 登録日 2020-10-19 公開日 2020-12-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase. Biochemistry, 59, 2020
7B7H	The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCINE, ... 著者 Mazurkewich, S, Larsbrink, J, Lo Leggio, L. 登録日 2020-12-10 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion. Nat Commun, 13, 2022
6GHO	Crystal structure of Spx in complex with YjbH 分子名称: CHLORIDE ION, Regulatory protein Spx, UPF0413 protein GK0824 著者 Awad, W, Logan, D.T, von Wachenfeldt, C. 登録日 2018-05-08 公開日 2019-04-24 最終更新日 2019-06-19 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx. Structure, 27, 2019
7B2U	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1 分子名称: (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-11-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B5Z	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6 分子名称: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-12-07 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B77	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8 分子名称: 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-12-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7AU4	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3 分子名称: (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-11-02 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B2J	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5 分子名称: 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... 著者 Talibov, V.O. 登録日 2020-11-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7BAX	Crystal structure of LYS11 ectodomain 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LysM type receptor kinase 著者 Laursen, M, Cheng, J, Gysel, K, Blaise, M, Andersen, K.R. 登録日 2020-12-16 公開日 2021-11-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Kinetic proofreading of lipochitooligosaccharides determines signal activation of symbiotic plant receptors. Proc.Natl.Acad.Sci.USA, 118, 2021

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