PDB: 226262 件ウェブページステータス検索Chemie searchBIRD

---

5SQV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894399 - (S,S) isomer 分子名称: (1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
2RMQ	Solution structure of fully modified 4'-thioDNA with the sequence of d(CGCGAATTCGCG) 分子名称: DNA (5'-D(*(C4S)P*(S4G)P*(C4S)P*(S4G)P*(S4A)P*(S4A)P*(T49)P*(T49)P*(C4S)P*(S4G)P*(C4S)P*(S4G))-3') 著者 Matsugami, A, Ohyama, T, Inada, M, Katahira, M. 登録日 2007-11-12 公開日 2008-04-15 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Unexpected A-form formation of 4'-thioDNA in solution, revealed by NMR, and the implications as to the mechanism of nuclease resistance Nucleic Acids Res., 36, 2008
4V02	MinC:MinD cell division protein complex, Aquifex aeolicus 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ... 著者 Ghosal, D, Lowe, J. 登録日 2014-09-10 公開日 2015-01-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments. Nat.Commun., 5, 2014
8GXZ	1 sulfate and 1 ATP bound V1EG of V/A-ATPase from Thermus thermophilus. 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... 著者 Nakanishi, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K. 登録日 2022-09-21 公開日 2023-01-25 最終更新日 2024-07-03 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Cryo-EM analysis of V/A-ATPase intermediates reveals the transition of the ground-state structure to steady-state structures by sequential ATP binding. J.Biol.Chem., 299, 2023
2RN5	Humal Insulin Mutant B31Lys-B32Arg 分子名称: Insulin 著者 Bocian, W, Kozerski, L. 登録日 2007-12-06 公開日 2008-10-28 最終更新日 2022-03-16 実験手法 SOLUTION NMR 主引用文献 NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer Biopolymers, 89, 2008
4V1P	BTN3 Structure 分子名称: BUTYROPHILIN SUBFAMILY 3 MEMBER A1 著者 James, L.C. 登録日 2014-09-30 公開日 2015-07-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Activation of Human Gammadelta T Cells by Cytosolic Interactions of Btn3A1 with Soluble Phosphoantigens and the Cytoskeletal Adaptor Periplakin. J.Immunol., 194, 2015
8HCA	SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up) 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, Heavy chain of YB13-292 Fab, ... 著者 Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. 登録日 2022-11-01 公開日 2023-01-25 最終更新日 2023-05-03 実験手法 ELECTRON MICROSCOPY (4.35 Å) 主引用文献 Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
5SQU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335 分子名称: DIMETHYL SULFOXIDE, N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SR0	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3649721459 - (R,S) and (S,R) isomers 分子名称: (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol, (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
8H99	Crystal structure of E. coli ThrS catalytic domain mutant 分子名称: ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... 著者 Qiao, H, Xia, M, Wang, J, Fang, P. 登録日 2022-10-25 公開日 2023-02-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
2RO1	NMR Solution Structures of Human KAP1 PHD finger-bromodomain 分子名称: Transcription intermediary factor 1-beta, ZINC ION 著者 Zeng, L, Yap, K.L, Ivanov, A.V, Wang, X, Mujtaba, S, Plotnikova, O, Rauscher, F.J. 登録日 2008-03-04 公開日 2008-05-20 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Structural insights into human KAP1 PHD finger-bromodomain and its role in gene silencing Nat.Struct.Mol.Biol., 15, 2008
4US1	The crystal structure of H-Ras and SOS in complex with ligands 分子名称: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 著者 Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. 登録日 2014-07-02 公開日 2015-03-04 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
2R51	Crystal Structure of mouse Vps26B 分子名称: Vacuolar protein sorting-associated protein 26B 著者 Owen, D.J, Teasdale, R.D, Collins, B.M. 登録日 2007-09-02 公開日 2008-07-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of Vps26B and mapping of its interaction with the retromer protein complex. Traffic, 9, 2008
5SS9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCow000000AiWv - (R) isomer 分子名称: (3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
4UWU	Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7) 分子名称: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ... 著者 Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. 登録日 2014-08-14 公開日 2014-12-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co. Dalton Trans, 44, 2015
8H9C	Crystal structure of chemically modified E. coli ThrS catalytic domain 4 分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION 著者 Qiao, H, Xia, M, Wang, J, Fang, P. 登録日 2022-10-25 公開日 2023-02-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
8HJB	Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A 分子名称: COENZYME A, TetR family transcriptional regulator 著者 Liang, H, Bartlam, M. 登録日 2022-11-23 公開日 2023-02-08 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa. Nucleic Acids Res., 51, 2023
2R5I	Pentamer Structure of Major Capsid Protein L1 of Human Papilloma Virus type 18 分子名称: L1 protein 著者 Bishop, B, Dasgupta, J, Chen, X.S. 登録日 2007-09-03 公開日 2008-05-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies. J.Biol.Chem., 282, 2007
5SSR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166300 分子名称: 3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
4UTO	Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN 著者 Luo, Z, Counago, R.M, Maher, M, Kobe, B. 登録日 2014-07-22 公開日 2015-03-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun, 6, 2015
4USZ	Crystal structure of the first bacterial vanadium dependant iodoperoxidase 分子名称: SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE 著者 Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C. 登録日 2014-07-17 公開日 2014-10-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family. Appl.Environ.Microbiol., 80, 2014
5SQX	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5183357278 - (R,R) and (S,S) isomers 分子名称: (1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
8HDP	Structure of A2BR bound to endogenous agonists adenosine 分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ... 著者 Cai, H, Xu, Y, Xu, H.E, Jiang, Y. 登録日 2022-11-05 公開日 2023-01-18 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
2RP1	Refined solution structure of the PEMV-1 mRNA pseudoknot, regularized average structure 分子名称: PEMV-1 mRNA pseudoknot 著者 Cornish, P.V, Hennig, M, Giedroc, D.P. 登録日 2008-04-25 公開日 2009-03-31 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Frameshifting RNA pseudoknots: Structure and mechanism. Virus Res., 139, 2009
4UVB	LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R) 分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate 著者 Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. 登録日 2014-08-05 公開日 2014-09-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A. Eur.J.Med.Chem., 86C, 2014

<418419420421422423424425426427428429430431432433>