PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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7MOD	Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in Complex with Phosphate in Conformation A (Pi(A)) 分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase DSP1 著者 Wang, H, Shears, S.B. 登録日 2021-05-01 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop. Nat Commun, 13, 2022
7MOH	Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5PP-InsP4) and phosphate in conformation B (Pi(B)) 分子名称: (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1 著者 Wang, H, Shears, S.B. 登録日 2021-05-01 公開日 2022-03-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop. Nat Commun, 13, 2022
5JT2	BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE 分子名称: 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide), BENZAMIDINE, Serine/threonine-protein kinase B-raf 著者 Grasso, M.J, Marmorstein, R. 登録日 2016-05-09 公開日 2016-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.702 Å) 主引用文献 Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation. Acs Chem.Biol., 11, 2016
6XNC	Salmonella typhimurium tryptophan synthase complexed with L-tryptophan and D-glycerol-3-phosphate 分子名称: DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, SN-GLYCEROL-1-PHOSPHATE, ... 著者 Phillips, R.S. 登録日 2020-07-02 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives. Biochemistry, 60, 2021
7MOO	L-type DNA containing 2'-fluoro-2'-deoxycytidine 分子名称: DNA (5'-D(*(0DG)P*(OFC)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DG)P*(0DC))-3') 著者 Dantsu, Y, Zhang, Y, Zhang, W. 登録日 2021-05-03 公開日 2022-03-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Synthesis of 2'-Deoxy-2'-fluoro-L-cytidine and Fluorinated L-Nucleic Acids for Structural Studies Chemistryselect, 6, 2021
6XQS	Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir 分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase 著者 Kneller, D.W, Kovalevsky, A, Coates, L. 登録日 2020-07-10 公開日 2020-07-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
1D48	STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION 分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE 著者 Egli, M, Williams, L.D, Gao, Q, Rich, A. 登録日 1991-09-11 公開日 1992-04-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution. Biochemistry, 30, 1991
6XQU	Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir 分子名称: 3C-like proteinase, boceprevir (bound form) 著者 Kneller, D.W, Kovalevsky, A, Coates, L. 登録日 2020-07-10 公開日 2020-07-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
4G0O	Crystal structure of Arabidopsis thaliana AGO5 MID domain 分子名称: Protein argonaute 5, SULFATE ION 著者 Frank, F, Hauver, J, Sonenberg, N, Nagar, B. 登録日 2012-07-09 公開日 2012-07-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.186 Å) 主引用文献 Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs. Embo J., 31, 2012
6HKB	Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3 分子名称: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ... 著者 Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. 登録日 2018-09-06 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
5JX0	Temperature sensitive D4 mutant L110F 分子名称: CHLORIDE ION, GLYCEROL, Uracil-DNA glycosylase 著者 Schormann, N, Chattopadhyay, D. 登録日 2016-05-12 公開日 2017-02-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Poxvirus uracil-DNA glycosylase-An unusual member of the family I uracil-DNA glycosylases. Protein Sci., 25, 2016
7MHX	KcsA E71V closed gate with Ba2+ 分子名称: BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... 著者 Rohaim, A, Li, J, Weingarth, M, Roux, B. 登録日 2021-04-15 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
7MUB	KcsA Open gate E71V mutant in Potassium 分子名称: Fab heavy chain, Fab light chain, POTASSIUM ION, ... 著者 Rohaim, A, Li, J, Weingarth, M, Roux, B. 登録日 2021-05-14 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
7MHR	KcsA E71V closed gate with K+ 分子名称: Fab heavy chain, Fab light chain, POTASSIUM ION, ... 著者 Rohaim, A, Li, J, Weingarth, M, Roux, B. 登録日 2021-04-15 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
7MK6	KcsA open gate E71V mutant with sodium 分子名称: Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA 著者 Rohaim, A, Li, J, Weingarth, M, Roux, B. 登録日 2021-04-21 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
7MJT	KcsA open gate E71V mutant with Barium 分子名称: BARIUM ION, Fab heavy chain, Fab light chain, ... 著者 Rohaim, A, Li, J, Weingarth, M, Roux, B. 登録日 2021-04-20 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
7M69	E1435Q Ycf1 mutant in inward-facing wide conformation 分子名称: Metal resistance protein YCF1 著者 Khandelwal, N.K, Millan, C.R, Thaker, T.M, Tomasiak, T.M. 登録日 2021-03-25 公開日 2022-04-06 最終更新日 2022-10-19 実験手法 ELECTRON MICROSCOPY (3.42 Å) 主引用文献 The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation. Nat Commun, 13, 2022
8BR4	Structure of GAPDH from Mycobacterium tuberculosis 分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Kumar, A, Karthikeyan, S. 登録日 2022-11-22 公開日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.29 Å) 主引用文献 Structure of GAPDH from Mycobacterium tuberculosis To Be Published
5JQI	Crystal structure of FimH A62S from E. coli UTI89 bound to FimG N-terminal extension 分子名称: FimG N-terminal extension, GLYCEROL, Type 1 fimbiral adhesin FimH 著者 Kalas, V, Hultgren, S.J. 登録日 2016-05-05 公開日 2017-02-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.962 Å) 主引用文献 Evolutionary fine-tuning of conformational ensembles in FimH during host-pathogen interactions. Sci Adv, 3, 2017
7M9F	Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261 分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2021-03-31 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation. Viruses, 13, 2021
7M68	E1435Q Ycf1 mutant in inward-facing narrow conformation 分子名称: Metal resistance protein YCF1 著者 Khandelwal, N.K, Millan, C.R, Thaker, T.M, Tomasiak, T.M. 登録日 2021-03-25 公開日 2022-04-06 最終更新日 2022-10-19 実験手法 ELECTRON MICROSCOPY (4.04 Å) 主引用文献 The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation. Nat Commun, 13, 2022
7MSK	ThuS glycosin S-glycosyltransferase 分子名称: Glyco_trans_2-like domain-containing protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE 著者 Garg, N, Nair, S.K. 登録日 2021-05-11 公開日 2022-04-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Structural and mechanistic investigations of protein S-glycosyltransferases. Cell Chem Biol, 28, 2021
6XHU	Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design 分子名称: 3C-like proteinase 著者 Kneller, D.W, Coates, L, Kovalevsky, A. 登録日 2020-06-19 公開日 2020-07-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7, 2020
4G0Z	Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with GMP 分子名称: GUANOSINE-5'-MONOPHOSPHATE, Protein argonaute 1 著者 Frank, F, Hauver, J, Sonenberg, N, Nagar, B. 登録日 2012-07-10 公開日 2012-07-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs. Embo J., 31, 2012
5K8G	Crystal structure of a putative peptide-binding domain of MpAFP 分子名称: Antifreeze protein, CALCIUM ION 著者 Guo, S, Campbell, R, Davies, P. 登録日 2016-05-30 公開日 2017-09-06 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017

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