PDB: 45677 件ウェブページステータス検索Chemie searchBIRD

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4UMZ	PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group 分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE 著者 Podust, L.M, Vieira, D.F. 登録日 2014-05-22 公開日 2015-06-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Recognition of Synthetic Substrates by P450 Pikc To be Published
7YG5	Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the topiramate-bound state 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Gao, Y, Zhao, Y. 登録日 2022-07-11 公開日 2023-11-29 最終更新日 2024-07-03 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structural insights into the allosteric effects of the antiepileptic drug topiramate on the Ca V 2.3 channel. Biochem.Biophys.Res.Commun., 725, 2024
6Q3F	CDK2 in complex with FragLite2 分子名称: 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-04 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6GVK	Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e) 分子名称: Dystonin, GLYCEROL, Integrin beta-4 著者 Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. 登録日 2018-06-21 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
4UII	Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the aquo-met form 分子名称: GGDEF DOMAIN PROTEIN, PROTOPORPHYRIN IX CONTAINING FE 著者 Germani, F, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Cuypers, B, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S. 登録日 2015-03-30 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.827 Å) 主引用文献 Azotobacter Vinelandii Globin-Coupled Oxygen Sensor is a Diguanylate Cyclase with a Biphasic Oxygen Dissociation To be Published
4UNM	Structure of Galactose Oxidase homologue from Streptomyces lividans 分子名称: ACETATE ION, COPPER (II) ION, SECRETED PROTEIN 著者 Chaplin, A.K, Hough, M.A, Worrall, J.A.R. 登録日 2014-05-29 公開日 2015-06-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Glxa is a New Structural Member of the Radical Copper Oxidase Family and is Required for Glycan Deposition at Hyphal Tips and Morphogenesis of Streptomyces Lividans. Biochem.J., 469, 2015
6MUD	Voltage-gated sodium channel NaV1.5 C-terminal domain in complex with Ca2+/Calmodulin 分子名称: CALCIUM ION, Calmodulin-1, Sodium channel protein type 5 subunit alpha 著者 Gardill, B.R, Tung, C.C, Van Petegem, F. 登録日 2018-10-23 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Crystal structures of Ca2+-calmodulin bound to NaVC-terminal regions suggest role for EF-hand domain in binding and inactivation. Proc.Natl.Acad.Sci.USA, 116, 2019
6GYW	Crystal structure of DacA from Staphylococcus aureus 分子名称: Diadenylate cyclase 著者 Tosi, T, Freemont, P.S, Grundling, A. 登録日 2018-07-02 公開日 2019-01-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM. PLoS Pathog., 15, 2019
6GYY	Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant 分子名称: Diadenylate cyclase 著者 Tosi, T, Freemont, P.S, Grundling, A. 登録日 2018-07-02 公開日 2019-01-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM. PLoS Pathog., 15, 2019
5FEM	Saccharomyces cerevisiae Acetohydroxyacid Synthase in complex with bensulfuron methyl 分子名称: Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Guddat, L.W, Lonhienne, T. 登録日 2015-12-17 公開日 2016-03-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.168 Å) 主引用文献 Commercial Herbicides Can Trigger the Oxidative Inactivation of Acetohydroxyacid Synthase. Angew.Chem.Int.Ed.Engl., 55, 2016
6QHM	14-3-3 sigma with RelA/p65 binding site pS281 分子名称: 14-3-3 protein sigma, LEU-SEP-GLU 著者 Wolter, M, Ottmann, C. 登録日 2019-01-16 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
8A6I	Structure of the low complexity domain of TDP-43 (fragment 309-350) with methionine sulfoxide modifications 分子名称: TAR DNA-binding protein 43 著者 Carrasco, J, Anton, R, Pantoja-Uceda, D, Laurents, D.V, Oroz, J. 登録日 2022-06-17 公開日 2023-02-08 実験手法 SOLUTION NMR 主引用文献 Metamorphism in TDP-43 prion-like domain determines chaperone recognition. Nat Commun, 14, 2023
6QK0	R2-like ligand-binding oxidase E69D mutant with anaerobically reconstituted Mn/Fe cofactor 分子名称: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ... 著者 Griese, J.J, Hogbom, M. 登録日 2019-01-28 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein. J.Am.Chem.Soc., 142, 2020
6GT0	Nitrite-bound copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... 著者 Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S. 登録日 2018-06-15 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
6Q4D	CDK2 in complex with FragLite31 分子名称: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
4UMX	IDH1 R132H in complex with cpd 1 分子名称: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... 著者 Mathieu, M, Marquette, J.P. 登録日 2014-05-22 公開日 2014-11-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
6N0M	CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138 分子名称: 4-(difluoromethyl)-L-leucine, Sestrin-2 著者 O'Neill, D. 登録日 2018-11-07 公開日 2019-04-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Discovery of NV-5138, the first selective Brain mTORC1 activator. Sci Rep, 9, 2019
6Q55	Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61 分子名称: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid, Cleavage and Polyadenylation Specificity Factor 3 (CPSF3), GLYCEROL, ... 著者 Palencia, A, Swale, C. 登録日 2018-12-07 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection. Sci Transl Med, 11, 2019
6GOW	Crystal structure of the flagellin-FliS complex from Bacillus subtilis crystallized in spacegroup P22121 分子名称: Flagellar secretion chaperone FliS, Flagellin 著者 Altegoer, F, Bange, G. 登録日 2018-06-04 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis. Sci Rep, 8, 2018
8ROI	Human cohesin SMC3-HD(EQ)/RAD21-N complex - ADP-bound conformation 分子名称: ADENOSINE-5'-DIPHOSPHATE, Double-strand-break repair protein rad21 homolog, Structural maintenance of chromosomes protein 3 著者 Vitoria Gomes, M, Romier, C. 登録日 2024-01-11 公開日 2024-09-11 最終更新日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains. Cell Rep, 43, 2024
6MT5	Crystal Structure of HLA-B*37:01 in complex with NP338-V6L influenza peptide 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-37 alpha chain, ... 著者 Gras, S. 登録日 2018-10-19 公開日 2019-02-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Broad CD8+T cell cross-recognition of distinct influenza A strains in humans. Nat Commun, 9, 2018
4UOP	Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes 分子名称: CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ... 著者 Campeotto, I, Freemont, P, Grundling, A. 登録日 2014-06-06 公開日 2014-08-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system. J. Biol. Chem., 289, 2014
6MYY	Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map 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, 426c DS-SOSIP D3, ... 著者 Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. 登録日 2018-11-02 公開日 2018-11-14 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
5FUU	Ectodomain of cleaved wild type JR-FL EnvdCT trimer in complex with PGT151 Fab 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Lee, J.H, Ward, A.B. 登録日 2016-01-29 公開日 2016-03-09 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 Cryo-Em Structure of a Native, Fully Glycosylated and Cleaved HIV-1 Envelope Trimer Science, 351, 2016
8S4H	Crystal structure of scFv-1B6 in complex with rocuronium bromide 分子名称: ScFv-1B6 VL, rocuronium, scFv-1B6 VH 著者 Saul, F.A, Haouz, A, Bruhns, P. 登録日 2024-02-21 公開日 2024-09-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Rocuronium-specific antibodies drive perioperative anaphylaxis but can also function as reversal agents in preclinical models. Sci Transl Med, 16, 2024

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