PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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5F0E	Murine endoplasmic reticulum alpha-glucosidase II 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. 登録日 2015-11-27 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
6MFY	Crystal structure of a 5-domain construct of LgrA in the substrate donation state 分子名称: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION 著者 Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. 登録日 2018-09-12 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
7PVX	Crystal structure of the c-Src SH3 domain mutant E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H in complex with the synthetic peptide VSL12 分子名称: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, VSL12 peptide 著者 Camara-Artigas, A, Salinas Garcia, M.C. 登録日 2021-10-05 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Crystal structure of the c-Src SH3 domain mutants of the specificity region in complex with polyproline peptides To be published
5F6C	The structure of E. coli RNase E catalytically inactive mutant with RNA bound 分子名称: MAGNESIUM ION, RNA (5'-R(P*GP*U)-3'), RNA (5'-R(P*GP*UP*G)-3'), ... 著者 Bandyra, K.J, Luisi, B.F. 登録日 2015-12-05 公開日 2016-12-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.002 Å) 主引用文献 Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E. Mol. Cell, 72, 2018
7WAA	Crystal structure of MCR-1-S treated by AgNO3 分子名称: Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION 著者 Zhang, Q, Wang, M, Sun, H. 登録日 2021-12-13 公開日 2022-03-16 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver. Proc.Natl.Acad.Sci.USA, 119, 2022
5UP0	Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) 分子名称: 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... 著者 Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. 登録日 2017-02-01 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
7W2E	An open-like conformation of the sigma-1 receptor from Xenopus laevis 分子名称: Sigma non-opioid intracellular receptor 1 著者 Meng, F, Sun, Z, Zhou, X. 登録日 2021-11-23 公開日 2022-03-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.557 Å) 主引用文献 An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway. Nat Commun, 13, 2022
7PW2	Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E mutant 分子名称: Non-specific protein-tyrosine kinase 著者 Camara-Artigas, A, Salinas Garcia, M.C. 登録日 2021-10-05 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
5F19	The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Lucido, M.J, Orlando, B.J, Malkowski, M.G. 登録日 2015-11-30 公開日 2016-03-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
7W2G	An open-like conformation of the sigma-1 receptor from Xenopus laevis complexed with PRE084 by soaking 分子名称: 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate, Sigma non-opioid intracellular receptor 1, octyl beta-D-glucopyranoside 著者 Meng, F, Sun, Z, Zhou, X. 登録日 2021-11-23 公開日 2022-03-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.851 Å) 主引用文献 An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway. Nat Commun, 13, 2022
7PJM	Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. 登録日 2021-08-24 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
7NMO	Crystal structure of beta-2-microglobulin D76A mutant 分子名称: Beta-2-microglobulin 著者 Guthertz, N. 登録日 2021-02-23 公開日 2022-08-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis. Proc.Natl.Acad.Sci.USA, 119, 2022
8OMD	Crystal structure of mKHK in complex with compound-4 分子名称: Ketohexokinase, compound 著者 Ebenhoch, R, Pautsch, A. 登録日 2023-03-31 公開日 2023-09-27 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
5UPE	Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5 分子名称: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase 著者 Longenecker, K.L, Raich, D, Korepanova, A.V. 登録日 2017-02-02 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT). Bioorg. Med. Chem. Lett., 27, 2017
8OJO	Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol 分子名称: 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... 著者 Tsagkarakou, A.S, Leonidas, D.D. 登録日 2023-03-24 公開日 2023-09-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
7NMR	Crystal structure of beta-2-microglobulin D76S mutant 分子名称: Beta-2-microglobulin, GLYCEROL 著者 Guthertz, N. 登録日 2021-02-23 公開日 2022-08-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis. Proc.Natl.Acad.Sci.USA, 119, 2022
5KVR	X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073 分子名称: Pyruvate dehydrogenase complex repressor 著者 Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2016-07-15 公開日 2016-11-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073 To Be Published
7NMT	Crystal structure of beta-2-microglobulin D76G mutant 分子名称: Beta-2-microglobulin 著者 Guthertz, N. 登録日 2021-02-23 公開日 2022-08-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis. Proc.Natl.Acad.Sci.USA, 119, 2022
5KR1	Protease PR5-DRV 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV 著者 Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. 登録日 2016-07-06 公開日 2016-09-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
8OMF	Crystal structure of hKHK-C in complex with compound-4 分子名称: Ketohexokinase, SULFATE ION, compound 著者 Ebenhoch, R, Pautsch, A. 登録日 2023-03-31 公開日 2023-09-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
7W2H	A double cysteine variant of the sigma-1 receptor from Xenopus laevis complexed with S1RA 分子名称: 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine, Sigma non-opioid intracellular receptor 1 著者 Meng, F, Sun, Z, Zhou, X. 登録日 2021-11-23 公開日 2022-03-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.796 Å) 主引用文献 An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway. Nat Commun, 13, 2022
5F2F	Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain 分子名称: 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH 著者 Kalas, V, Hultgren, S.J. 登録日 2015-12-01 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.665 Å) 主引用文献 Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI. Chemmedchem, 11, 2016
8OK6	Variant Surface Glycoprotein VSG11 two monomers 分子名称: SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... 著者 Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E. 登録日 2023-03-27 公開日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
7NMC	Crystal structure of beta-2-microglobulin D76E mutant 分子名称: Beta-2-microglobulin, GLYCEROL, TRIETHYLENE GLYCOL 著者 Guthertz, N. 登録日 2021-02-23 公開日 2022-08-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis. Proc.Natl.Acad.Sci.USA, 119, 2022
7PVT	Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Tyrosine-protein kinase transforming protein Src, ... 著者 Camara-Artigas, A, Salinas-Garcia, M.C. 登録日 2021-10-05 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12 To be published

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