PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6RHC	Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... 著者 Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. 登録日 2019-04-19 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
6RG9	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 著者 Gelin, M, Labesse, G. 登録日 2019-04-16 公開日 2020-02-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
7B69	BK Polyomavirus VP1 pentamer core(residues 26-299) mutant C104S 分子名称: DIMETHYL SULFOXIDE, Major capsid protein VP1 著者 Osipov, E.M, Beelen, S, Strelkov, S.V. 登録日 2020-12-07 公開日 2022-06-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.474 Å) 主引用文献 Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol, 3, 2022
7B6A	BK Polyomavirus VP1 pentamer core (residues 30-299) 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, IODIDE ION, ... 著者 Osipov, E.M, Munawar, A, Beelen, S, Strelkov, S.V. 登録日 2020-12-07 公開日 2022-06-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol, 3, 2022
5OHP	Crystal structure of USP30 (C77A) in complex with Lys6-linked diubiquitin 分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION 著者 Gersch, M, Komander, D. 登録日 2017-07-17 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Mechanism and regulation of the Lys6-selective deubiquitinase USP30. Nat. Struct. Mol. Biol., 24, 2017
6RH1	Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 7 分子名称: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... 著者 Mideros-Mora, C, Casino, P, Marina, A. 登録日 2019-04-18 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
7B6C	BK Polyomavirus VP1 pentamer fusion with long C-terminal extended arm 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, Major capsid protein VP1,Major capsid protein VP1 著者 Osipov, E.M, Beelen, S, Strelkov, S.V. 登録日 2020-12-07 公開日 2022-06-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.484 Å) 主引用文献 Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol, 3, 2022
5OGB	Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360. 分子名称: 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2 著者 Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E. 登録日 2017-07-12 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways. Acs Chem.Biol., 14, 2019
5OJK	Crystal structure of the human neuroligin 1 cholinesterase domain containing spliced sequence B (SSB) (NL1(-A+B)) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-1,Neuroligin-1, TRIETHYLENE GLYCOL 著者 Elegheert, J, Aricescu, A.R. 登録日 2017-07-21 公開日 2017-08-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural Mechanism for Modulation of Synaptic Neuroligin-Neurexin Signaling by MDGA Proteins. Neuron, 95, 2017
5OGX	Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. 分子名称: BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. 登録日 2017-07-13 公開日 2018-07-04 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
6RJ1	N-Domain P40/P90 Mycoplasma pneumoniae 分子名称: Mgp-operon protein 3 著者 Vizarraga, D, Aparicio, D, Illanes, R, Fita, I. 登録日 2019-04-25 公開日 2020-11-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun, 11, 2020
5OHK	Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (high resolution) 分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ... 著者 Gersch, M, Komander, D. 登録日 2017-07-17 公開日 2017-09-20 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Mechanism and regulation of the Lys6-selective deubiquitinase USP30. Nat. Struct. Mol. Biol., 24, 2017
6RJN	Crystal structure of a Fungal Catalase at 2.3 Angstroms 分子名称: CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ... 著者 Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C. 登録日 2019-04-28 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.295 Å) 主引用文献 Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes. Free Radic. Biol. Med., 141, 2019
6RK6	Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity. 分子名称: MANGANESE (II) ION, Oligoribonuclease 著者 Piotrowski, Y, Berg, K, Klebl, D.P, Leiros, I, Larsen, A.N. 登録日 2019-04-30 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity. Febs Open Bio, 9, 2019
5OK6	Ubiquitin specific protease 11 USP11 - peptide F complex 分子名称: 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ... 著者 Spiliotopoulos, A, Dreveny, I. 登録日 2017-07-25 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11. J.Biol.Chem., 294, 2019
5OIN	InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide 著者 Convery, M.A. 登録日 2017-07-19 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OKI	Crystal structure of the Ctf18-1-8 module from Ctf18-RFC in complex with a 63 kDa fragment of DNA Polymerase epsilon 分子名称: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ... 著者 Grabarczyk, D.B, Kisker, C. 登録日 2017-07-25 公開日 2017-12-20 最終更新日 2018-01-10 実験手法 X-RAY DIFFRACTION (4.5 Å) 主引用文献 Structural Basis for the Recruitment of Ctf18-RFC to the Replisome. Structure, 26, 2018
6RKI	Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... 著者 Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. 登録日 2019-04-30 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
5OJ1	Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide 分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X, SODIUM ION 著者 Bernardo-Garcia, N, Hermoso, J.A. 登録日 2017-07-20 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
6RL5	The first crystal structure of the DABA aminotransferase EctB in the ectoine biosynthesis pathway of the model organism Chromohalobacter salexigens DSM 3034 分子名称: Diaminobutyrate--2-oxoglutarate transaminase, PYRIDOXAL-5'-PHOSPHATE 著者 Hillier, H.T, Altermark, B, Leiros, I. 登録日 2019-05-01 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The crystal structure of the tetrameric DABA-aminotransferase EctB, a rate-limiting enzyme in the ectoine biosynthesis pathway. Febs J., 287, 2020
5OKZ	Crystal Strucrure of the Mpp6 Exosome complex 分子名称: CHLORIDE ION, Exosome complex component CSL4, Exosome complex component MTR3, ... 著者 Falk, S, Ebert, J, Conti, E. 登録日 2017-07-26 公開日 2017-08-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.200039 Å) 主引用文献 Mpp6 Incorporation in the Nuclear Exosome Contributes to RNA Channeling through the Mtr4 Helicase. Cell Rep, 20, 2017
5OJH	Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium 分子名称: CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION 著者 Schneider, G, Vella, P, Lindqvist, Y, Schnell, R. 登録日 2017-07-21 公開日 2018-08-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium. J. Mol. Biol., 430, 2018
6U0O	Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ... 著者 Owens, T.W, Schaefer, K, Kahne, D, Walker, S. 登録日 2019-08-14 公開日 2020-09-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization. Nat Microbiol, 6, 2021
6TVH	Selenomethionine-substituted HPF1 from Nematostella vectensis 分子名称: Predicted protein 著者 Ariza, A. 登録日 2020-01-09 公開日 2020-02-19 最終更新日 2020-04-08 実験手法 X-RAY DIFFRACTION (2.651 Å) 主引用文献 HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
7BGX	Mutant F105L of recombinant beta-lactoglobulin 分子名称: Beta-lactoglobulin, GLYCEROL, SULFATE ION 著者 Loch, J.I, Wrobel, P, Lewinski, K. 登録日 2021-01-08 公開日 2021-01-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021

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