PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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2OVV	Crystal structure of the catalytic domain of rat phosphodiesterase 10A 分子名称: 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... 著者 Pandit, J, Marr, E.S. 登録日 2007-02-15 公開日 2007-03-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
5R8P	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z818727262 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, SULFATE ION, ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
2N5R	NMR structure of cFLIP-derived calmodulin binding peptide 分子名称: CASP8 and FADD-like apoptosis regulator 著者 Panaitiu, A.E. 登録日 2015-07-24 公開日 2015-11-18 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Identification and Characterization of the Interaction Site between cFLIPL and Calmodulin. Plos One, 10, 2015
5TCW	ACC oxidase complex with nickel and acetate 分子名称: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION 著者 Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J. 登録日 2016-09-15 公開日 2017-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid To Be Published
5UJX	Crystal structure of DHFR in 20% Isopropanol 分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... 著者 Cuneo, M.J, Agarwal, P.K. 登録日 2017-01-19 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
5TWT	Characterization of class III peroxidase from switchgrass (Panicum virgatum) 分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase Pvi9, ... 著者 Moural, T.W, Kang, C. 登録日 2016-11-14 公開日 2017-01-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.296 Å) 主引用文献 Characterization of Class III Peroxidases from Switchgrass. Plant Physiol., 173, 2017
7FAX	Complex structure of TbLeo1 and LW domain from Trypanosoma brucei 分子名称: TbLW, TbLeo1 peptide 著者 Liao, S, Gao, J, Tu, X. 登録日 2021-07-07 公開日 2022-07-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C. Int.J.Biol.Macromol., 253, 2023
5SZ9	Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors 分子名称: (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. 登録日 2016-08-12 公開日 2016-11-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
5TGB	Structure of chimeric 02-CB Fab, a VRC01-like germline antibody 分子名称: 02-CB Fab Heavy Chain, 02-CB Fab Light Chain 著者 Pancera, M. 登録日 2016-09-27 公開日 2016-11-09 最終更新日 2019-12-11 実験手法 X-RAY DIFFRACTION (2.741 Å) 主引用文献 Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors. Cell Rep, 17, 2016
5TFS	Structure of chimeric 02-K Fab, a VRC01-like germline antibody 分子名称: 02-K Fab Heavy chain, 02-K Fab Light chain, SULFATE ION 著者 Pancera, M. 登録日 2016-09-26 公開日 2016-11-09 最終更新日 2019-12-11 実験手法 X-RAY DIFFRACTION (2.319 Å) 主引用文献 Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors. Cell Rep, 17, 2016
4G7X	Crystal structure of a complex between the CTXphi pIII N-terminal domain and the Vibrio cholerae TolA C-terminal domain 分子名称: Putative uncharacterized protein, TolA protein 著者 Kolappan, S, Ford, C.G, Craig, L. 登録日 2012-07-20 公開日 2012-08-29 最終更新日 2012-11-07 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Crystal Structures of a CTX{varphi} pIII Domain Unbound and in Complex with a Vibrio cholerae TolA Domain Reveal Novel Interaction Interfaces. J.Biol.Chem., 287, 2012
5U7L	PDE2 catalytic domain complexed with inhibitors 分子名称: (3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine, MAGNESIUM ION, ZINC ION, ... 著者 Pandit, J, Parris, K. 登録日 2016-12-12 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
5U7K	PDE2 catalytic domain complexed with inhibitors 分子名称: 3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... 著者 Pandit, J, Parris, K. 登録日 2016-12-12 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
5UTF	Crystal Structure of a Stabilized DS-SOSIP.6mut BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, Y177W, N300M, N302M, T320L, I420M in Complex with Human Antibodies PGT122 and 35O22 at 4.3 A 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, 35022 Heavy chain, ... 著者 Pancera, M, Chuang, G.-Y, Xu, K, Kwong, P.D. 登録日 2017-02-14 公開日 2017-03-29 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.503 Å) 主引用文献 Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity. J. Virol., 91, 2017
5TF1	Structure of chimeric 02-CC Fab, a VRC01-like germline antibody 分子名称: 02-CC Fab Heavy chain, O2-CC Fab Light Chain 著者 Pancera, M. 登録日 2016-09-23 公開日 2016-11-16 最終更新日 2019-12-11 実験手法 X-RAY DIFFRACTION (1.858 Å) 主引用文献 Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors. Cell Rep, 17, 2016
5OWW	Crystal structure of human BRD4(1) bromodomain in complex with UT22B 分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide 著者 Zhu, J, Caflisch, A. 登録日 2017-09-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5OWM	Crystal structure of human BRD4(1) bromodomain in complex with UT48 分子名称: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol 著者 Zhu, J, Caflisch, A. 登録日 2017-09-01 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5OVB	Crystal structure of human BRD4(1) bromodomain in complex with DR46 分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide 著者 Zhu, J, Caflisch, A. 登録日 2017-08-28 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5W2B	Crystal structure of C-terminal domain of Ebola (Reston) nucleoprotein in complex with Fab fragment 分子名称: Fab Heavy Chain, Fab Light Chain, Nucleoprotein 著者 Radwanska, M.J, Derewenda, U, Kossiakoff, A.A, Derewenda, Z.S. 登録日 2017-06-06 公開日 2018-06-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 The structure of the C-terminal domain of the nucleoprotein from the Bundibugyo strain of the Ebola virus in complex with a pan-specific synthetic Fab. Acta Crystallogr D Struct Biol, 74, 2018
6XF5	Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) 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, Spike glycoprotein 著者 Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. 登録日 2020-06-15 公開日 2020-09-02 最終更新日 2020-12-02 実験手法 ELECTRON MICROSCOPY (3.45 Å) 主引用文献 Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
5X0M	Structure of a eukaryotic voltage-gated sodium channel at near atomic resolution 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, Sodium channel protein, ... 著者 Shen, H, Zhou, Q, Pan, X, Li, Z, Wu, J, Yan, N. 登録日 2017-01-21 公開日 2017-03-08 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structure of a eukaryotic voltage-gated sodium channel at near-atomic resolution. Science, 355, 2017
8C89	SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) 分子名称: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. 登録日 2023-01-19 公開日 2024-01-10 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (4.41 Å) 主引用文献 A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity. Nat Commun, 15, 2024
8C41	High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... 著者 Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. 登録日 2022-12-30 公開日 2024-01-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.393 Å) 主引用文献 The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin. To Be Published
4W4Q	Glucose isomerase structure determined by serial femtosecond crystallography at SACLA 分子名称: CALCIUM ION, Xylose isomerase 著者 Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S. 登録日 2014-08-15 公開日 2014-11-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Grease matrix as a versatile carrier of proteins for serial crystallography Nat.Methods, 12, 2015
3LTN	Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae) 分子名称: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ... 著者 Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. 登録日 2010-02-16 公開日 2010-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010

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