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

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9GGL	Cryo-EM structure of KBTBD4 WT-HDAC2 2:1 complex mediated by molecular glue UM171 分子名称: (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 2, Isoform 1 of Kelch repeat and BTB domain-containing protein 4, ... 著者 Chen, Z, Chi, G, Pike, A.C.W, Montes, B, Bullock, A.N. 登録日 2024-08-13 公開日 2025-04-09 実験手法 ELECTRON MICROSCOPY (3.13 Å) 主引用文献 Structural mimicry of UM171 and neomorphic cancer mutants co-opts E3 ligase KBTBD4 for HDAC1/2 recruitment. Nat Commun, 16, 2025
5IQ9	Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. 分子名称: 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide 著者 Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. 登録日 2016-03-10 公開日 2016-04-20 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
5CTA	G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl] 分子名称: 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase 著者 Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. 登録日 2015-07-23 公開日 2015-11-04 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
5H6J	DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 著者 Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. 登録日 2016-11-14 公開日 2017-08-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
7ZVA	Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ... 著者 Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. 登録日 2022-05-14 公開日 2022-08-10 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
6LFD	Crystal structure of VMB-1 at pH5.5(Bis-Tris) 分子名称: GLYCEROL, VMB-1, ZINC ION 著者 Cheng, Q, Chen, S. 登録日 2019-12-02 公開日 2020-02-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Crystal structure of VMB-1 at pH 5.5(Bis-Tris) To Be Published
7ZQS	Cryo-EM Structure of Human Transferrin Receptor 1 bound to DNA Aptamer 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ... 著者 Bansia, H, Wang, T, Gutierrez, D, des Georges, A. 登録日 2022-05-02 公開日 2022-08-17 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (2.54 Å) 主引用文献 Discovery of a Transferrin Receptor 1-Binding Aptamer and Its Application in Cancer Cell Depletion for Adoptive T-Cell Therapy Manufacturing. J.Am.Chem.Soc., 144, 2022
6L14	Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives 分子名称: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1 著者 Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. 登録日 2019-09-27 公開日 2020-05-27 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
6C2Z	Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-Aminoacrylate Intermediate 分子名称: 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CALCIUM ION, ... 著者 Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. 登録日 2018-01-09 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
5DYF	The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid 分子名称: Aminopeptidase N, GLYCEROL, IMIDAZOLE, ... 著者 Nocek, B, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A, Midwest Center for Structural Genomics (MCSG) 登録日 2015-09-24 公開日 2015-11-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid To Be Published
7ZSA	Yeast RNA polymerase II transcription pre-initiation complex with the +1 nucleosome and NTP (complex B) 分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... 著者 Wang, H, Cramer, P. 登録日 2022-05-06 公開日 2022-11-16 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Structures of transcription preinitiation complex engaged with the +1 nucleosome. Nat.Struct.Mol.Biol., 30, 2023
4AZG	Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH 分子名称: 1,2-ETHANEDIOL, ACETATE ION, BETA-N-ACETYLHEXOSAMINIDASE, ... 著者 Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. 登録日 2012-06-25 公開日 2013-07-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh. Org.Biomol.Chem., 11, 2013
5U1P	Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans in complex with NADP 分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent carbonyl reductase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-11-28 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans in complex with NADP TO BE PUBLISHED
6ZIS	Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor 分子名称: Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... 著者 Southall, S.M. 登録日 2020-06-26 公開日 2020-07-15 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
7ZS9	Yeast RNA polymerase II transcription pre-initiation complex with the +1 nucleosome (complex A) 分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... 著者 Wang, H, Cramer, P. 登録日 2022-05-06 公開日 2022-11-16 最終更新日 2025-07-09 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structures of transcription preinitiation complex engaged with the +1 nucleosome. Nat.Struct.Mol.Biol., 30, 2023
8A1Z	Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with 1-(2,4-dichlorophenyl)-3-hydroxyurea 分子名称: 1-(2,4-dichlorophenyl)-3-oxidanyl-urea, CHLORIDE ION, MAGNESIUM ION, ... 著者 Haufroid, M, Wouters, J. 登録日 2022-06-02 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach. Eur.J.Med.Chem., 245, 2022
9CF8	Cryo-EM structure of human kidney V-ATPase state 1 分子名称: ADENOSINE-5'-DIPHOSPHATE, Renin receptor, Ribonuclease kappa, ... 著者 Zhang, Z, Lyu, M. 登録日 2024-06-27 公開日 2025-08-06 実験手法 ELECTRON MICROSCOPY (3.46 Å) 主引用文献 Cryo-EM structure of human kidney V-ATPase state 1 To Be Published
5A6J	GH20C, Beta-hexosaminidase from Streptococcus pneumoniae 分子名称: 1,2-ETHANEDIOL, N-ACETYL-BETA-D-GLUCOSAMINIDASE 著者 Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B. 登録日 2015-06-26 公開日 2015-09-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans. J. Biol. Chem., 290, 2015
7T7T	Structure of TSK/BRU1 bound to histone H3.1 分子名称: Histone H3.1, Protein TONSOKU 著者 Davarinejad, H, Couture, J.F. 登録日 2021-12-15 公開日 2022-03-30 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (3.17 Å) 主引用文献 The histone H3.1 variant regulates TONSOKU-mediated DNA repair during replication. Science, 375, 2022
6GB1	Crystal structure of the GLP1 receptor ECD with Peptide 11 分子名称: Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ... 著者 Schreuder, H.A, Liesum, A. 登録日 2018-04-13 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
6S55	Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide 分子名称: 1,2-ETHANEDIOL, 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ... 著者 Chung, C. 登録日 2019-06-30 公開日 2019-08-21 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification. J.Med.Chem., 62, 2019
7MKC	N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74) 分子名称: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2021-04-23 公開日 2022-05-04 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection. Viruses, 14, 2022
8WE6	Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 Gao, S, Yao, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
2V0W	N- and C-terminal helices of oat LOV2 (404-546) are involved in light- induced signal transduction (cryo-trapped light structure of LOV2 (404-546)) 分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, NPH1-1 著者 Halavaty, A.S, Moffat, K. 登録日 2007-05-20 公開日 2007-12-11 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 N- and C-Terminal Flanking Regions Modulate Light-Induced Signal Transduction in the Lov2 Domain of the Blue Light Sensor Phototropin 1 from Avena Sativa. Biochemistry, 46, 2007
6RX0	Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013) 分子名称: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Landi, G, Pozzi, C, Mangani, S. 登録日 2019-06-07 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J.Med.Chem., 65, 2022

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