PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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6Z60	The RSL - sulfonato-calix[8]arene complex, P213 form, CAPS pH 9.5 分子名称: Fucose-binding lectin protein, SULFATE ION, beta-D-fructopyranose, ... 著者 Ramberg, K, Engilberge, S, Crowley, P.B. 登録日 2020-05-27 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.166 Å) 主引用文献 Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
6Z62	The RSL - sulfonato-calix[8]arene complex, P213 form, TRIS-HCl pH 8.5 分子名称: Fucose-binding lectin protein, SULFATE ION, beta-D-fructopyranose, ... 著者 Ramberg, K, Engilberge, S, Crowley, P.B. 登録日 2020-05-27 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.156 Å) 主引用文献 Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
6YYN	Structure of Cathepsin S in complex with Compound 14 分子名称: CITRATE ANION, Cathepsin S, SULFATE ION, ... 著者 Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. 登録日 2020-05-05 公開日 2021-05-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
7K61	Cryo-EM structure of 197bp nucleosome aided by scFv 分子名称: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... 著者 Zhou, B.-R, Bai, Y. 登録日 2020-09-17 公開日 2020-11-25 最終更新日 2021-01-20 実験手法 ELECTRON MICROSCOPY (2.85 Å) 主引用文献 Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms. Mol.Cell, 81, 2021
6YYP	Structure of Cathepsin S in complex with Compound 2 分子名称: 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... 著者 Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. 登録日 2020-05-05 公開日 2021-05-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
6YYO	Structure of Cathepsin S in complex with Compound 1 分子名称: 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... 著者 Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. 登録日 2020-05-05 公開日 2021-05-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
6YYQ	Structure of Cathepsin S in complex with Compound 3 分子名称: (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S 著者 Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. 登録日 2020-05-05 公開日 2021-05-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
6YYR	Structure of Cathepsin S in complex with Compound 20b 分子名称: (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... 著者 Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. 登録日 2020-05-05 公開日 2021-05-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
7JX9	The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. 分子名称: (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... 著者 Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. 登録日 2020-08-26 公開日 2021-01-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ). Acs Chem.Biol., 16, 2021
6STE	Crystal structure of the tick chemokine-binding protein Evasin-4 (SG 3) 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Evasin-4, ... 著者 Ramirez-Escudero, M, Janssen, B.J.C. 登録日 2019-09-10 公開日 2020-09-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural characterization of anti-CCL5 activity of the tick salivary protein evasin-4. J.Biol.Chem., 295, 2020
6SU0	Crystal structure of dimethylated RSLex in complex with cucurbit[7]uril 分子名称: Fucose-binding lectin protein, SODIUM ION, cucurbit[7]uril, ... 著者 Guagnini, F, Engilberge, S, Crowley, P.B. 登録日 2019-09-12 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Engineered assembly of a protein-cucurbituril biohybrid. Chem.Commun.(Camb.), 56, 2020
6Z13	VEGF-A 13:107 crystallized with 3C bicyclic peptide 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, AMINO GROUP, ... 著者 Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. 登録日 2020-05-12 公開日 2021-05-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
6Z3F	VEGF-A 13:107 crystallized with 2C bicyclic peptide 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, AMINO GROUP, ... 著者 Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. 登録日 2020-05-20 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
7LKY	Crystal Structure of PHF1 Tudor domain in complex with a peptidomimetic ligand UNC6641 分子名称: DIMETHYL SULFOXIDE, Isoform 1 of PHD finger protein 1, Peptidomimetic inhibitor UNC6641, ... 著者 Liu, J, Kutateladze, T.G. 登録日 2021-02-03 公開日 2021-12-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of an H3K36me3-Derived Peptidomimetic Ligand with Enhanced Affinity for Plant Homeodomain Finger Protein 1 (PHF1). J.Med.Chem., 64, 2021
7M0Q	Crystal structure of deep network hallucinated protein 0738_mod 分子名称: Network hallucinated protein 0738_mod 著者 Pellock, S.J, Bera, A.K, Anishchenko, I, Baker, D. 登録日 2021-03-11 公開日 2021-12-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 De novo protein design by deep network hallucination. Nature, 600, 2021
6TZ8	Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506 分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin subunit B, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-08-10 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
6ZBR	VEGF-A 13:107 crystallized with 4C bicyclic peptide 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Chains: P, PHOSPHATE ION, ... 著者 Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. 登録日 2020-06-09 公開日 2021-06-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
6ZCD	VEGF-A 13:107 crystallized with 1C bicyclic peptide 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Derived from V114 peptide, PHOSPHATE ION, ... 著者 Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. 登録日 2020-06-10 公開日 2021-06-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
6ZFL	High resolution structure of VEGF-A 12:107 crystallized in tetragonal form 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Vascular endothelial growth factor A 著者 Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. 登録日 2020-06-17 公開日 2021-06-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
6U7Z	RNA hairpin structure containing one TNA nucleotide as primer 分子名称: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3') 著者 Szostak, J.W, Zhang, W. 登録日 2019-09-03 公開日 2020-12-09 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
6TZN	Structure of S. pombe telomerase accessory protein Pof8 C-terminal domain 分子名称: NITRATE ION, Protein pof8 著者 Basu, R.S, Cascio, D, Eichhorn, C.D, Feigon, J. 登録日 2019-08-12 公開日 2020-08-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins. Rna Biol., 18, 2021
6U04	Crystal structure of human BRPF1 PZP bound to histone H3 tail 分子名称: Histone H3.3,BRPF1, Peregrin, PRASEODYMIUM ION, ... 著者 Klein, B.J, Kutateladze, T.G. 登録日 2019-08-13 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular Basis for the PZP Domain of BRPF1 Association with Chromatin. Structure, 28, 2020
6U28	Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K 分子名称: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta 著者 Cho, J.H, Zhao, B, Savage, N, Li, P. 登録日 2019-08-19 公開日 2020-04-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses. Proc.Natl.Acad.Sci.USA, 117, 2020
7LH8	CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 分子名称: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... 著者 Schonbrunn, E, Chan, A. 登録日 2021-01-21 公開日 2022-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Dihydropyridine Lactam Analogs Targeting BET Bromodomains. Chemmedchem, 17, 2022
6TT6	Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain 分子名称: PD-i6 peptide 著者 Guardiola, S, Varese, M, Garcia, J, Giralt, E. 登録日 2019-12-23 公開日 2021-01-13 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain To Be Published

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