PDB: 31311 件ウェブページステータス検索Chemie searchBIRD

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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
7N3V	Crystal structure of Mycobacterium smegmatis LmcA 分子名称: GLYCEROL, LmcA, SULFATE ION 著者 Patel, O, Lucet, I, Panjikar, S. 登録日 2021-06-02 公開日 2022-04-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis. Acta Crystallogr D Struct Biol, 78, 2022
7YM7	Crystal structure of the Salmonella effector SseK1 F187A mutant 分子名称: Type III secretion system effector arginine glycosyltransferase SseK1 著者 Kim, U.J, Park, J.B, Yoo, Y, Cho, H.S. 登録日 2022-07-27 公開日 2023-08-02 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Catalytic DxD motif caged in Asx-turn and Met-aromatic interaction attenuates the pathogenic glycosylation of SseK2/NleB2 effectors. Sci Rep, 12, 2022
5EA5	Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, D(-)-TARTARIC ACID, ... 著者 Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. 登録日 2015-10-15 公開日 2015-12-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
8P9R	Structure of the periplasmic domain of ExbD from E. coli in complex with TonB 分子名称: Biopolymer transport protein ExbD, Protein TonB 著者 Zinke, M, Mechaly, A, Lejeune, M, Haouz, A, Izadi-Pruneyre, N. 登録日 2023-06-06 公開日 2023-09-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake. Nat Commun, 15, 2024
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
7N9G	Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib 分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... 著者 Miller, D.J, Xie, T. 登録日 2021-06-17 公開日 2022-04-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Imatinib can act as an Allosteric Activator of Abl Kinase. J.Mol.Biol., 434, 2022
5EAH	Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole 分子名称: 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, ... 著者 Tyndall, J.D.A, Sabherwal, M, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. 登録日 2015-10-16 公開日 2016-02-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.541 Å) 主引用文献 Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
8SME	Structure of SPO1 phage Tad2 in apo state 分子名称: Gp34.65 著者 Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. 登録日 2023-04-26 公開日 2023-11-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
7N5M	PCNA from Thermococcus gammatolerans: crystal III, collection 1, 2.00 A, 1.91 MGy 分子名称: DNA polymerase sliding clamp, GLYCEROL, SULFATE ION 著者 Marin-Tovar, Y, Rudino-Pinera, E. 登録日 2021-06-05 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation. Proteins, 90, 2022
7W2C	The closed conformation of the sigma-1 receptor from Xenopus laevis complexed with PRE084 分子名称: 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate, GOLD ION, 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 (3.335 Å) 主引用文献 An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway. Nat Commun, 13, 2022
5HMZ	Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23 分子名称: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION 著者 Noble, C.G. 登録日 2016-01-17 公開日 2016-03-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
8T1U	Crystal structure of the DRM2-CTA DNA complex 分子名称: DNA (5'-D(P*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*AP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*TP*TP*TP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... 著者 Chen, J, Lu, J, Song, J. 登録日 2023-06-03 公開日 2023-11-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2. J.Biol.Chem., 299, 2023
5DK8	Human ubiquitin in the P1 space group 分子名称: MAGNESIUM ION, Polyubiquitin-B 著者 Camara-Artigas, A, Bacarizo, J. 登録日 2015-09-03 公開日 2015-12-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 New crystal form of human ubiquitin in the presence of magnesium. Acta Crystallogr.,Sect.F, 72, 2016
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
8VL8	Salmonella enterica Typhimurium taxis to serine and repellents (Tsr) ligand-binding domain with L-Ser, pH 7 分子名称: CHLORIDE ION, Methyl-accepting chemotaxis protein, POTASSIUM ION, ... 著者 Glenn, S, Baylink, A. 登録日 2024-01-11 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Human Serum is a Potent Chemoattractant for Enterobacteriaceae Species Associated with Gastrointestinal Bleeding eLife, 2024
7PW0	Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant 分子名称: Isoform 1 of Proto-oncogene tyrosine-protein kinase 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 (1.7 Å) 主引用文献 The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
5DKD	Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe 分子名称: (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... 著者 Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. 登録日 2015-09-03 公開日 2015-10-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe To Be Published
8SMH	Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAAGTGGG) 分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... 著者 Terrell, J.R, Poon, G.M.K. 登録日 2023-04-26 公開日 2023-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
5HNC	Synchrotron X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels 分子名称: Lysozyme C 著者 Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. 登録日 2016-01-18 公開日 2016-07-20 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels. Acta Crystallogr D Struct Biol, 72, 2016
8SP1	Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGIAAGTGGG) 分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... 著者 Terrell, J.R, Poon, G.M.K. 登録日 2023-05-01 公開日 2023-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
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
7N5K	PCNA from Thermococcus gammatolerans: crystal II, collection 1, 1.98 A, 3.84 MGy 分子名称: DNA polymerase sliding clamp, GLYCEROL, SULFATE ION 著者 Marin-Tovar, Y, Rudino-Pinera, E. 登録日 2021-06-05 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation. Proteins, 90, 2022
7PVW	Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant 分子名称: ACETATE ION, Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, TETRAETHYLENE GLYCOL 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 (1.5 Å) 主引用文献 The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published
6NEL	4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease 分子名称: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ... 著者 Bauman, J.D, Arnold, E. 登録日 2018-12-17 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease. Chemmedchem, 14, 2019

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