PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7BF7	Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine 分子名称: Beta-lactoglobulin, SULFATE ION, Tetracaine 著者 Loch, J.I, Kaczor, K, Lewinski, K. 登録日 2021-01-01 公開日 2021-01-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
6TQ3	Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA) 分子名称: Enzyme subunit 著者 Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A. 登録日 2019-12-16 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering. Elife, 9, 2020
7BGA	Mutant F105A of recombinant beta-lactoglobulin in complex with endogenous ligand 分子名称: Beta-lactoglobulin, LAURIC ACID, SULFATE ION 著者 Loch, J.I, Lazinska, I, Lewinski, K. 登録日 2021-01-06 公開日 2021-01-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
5N4E	Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant 分子名称: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase 著者 Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. 登録日 2017-02-10 公開日 2017-11-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
6TPP	Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis. 分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A 著者 Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2019-12-13 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
5N5H	Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor 分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION 著者 Salimraj, R, Hinchliffe, P, Spencer, J. 登録日 2017-02-14 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
6T1Z	LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... 著者 Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. 登録日 2019-10-07 公開日 2020-07-29 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity. Nat.Struct.Mol.Biol., 27, 2020
5NCZ	mPI3Kd IN COMPLEX WITH inh1 分子名称: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Petersen, J. 登録日 2017-03-06 公開日 2017-06-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
6T1Q	3C-like protease from Southampton norovirus. 分子名称: Genome polyprotein 著者 Guo, J, Cooper, J.B. 登録日 2019-10-05 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7BYW	Crystal structure of Acidovorax avenae L-fucose mutarotase (L-fucose-bound form) 分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, L-fucose mutarotase, alpha-L-fucopyranose 著者 Watanabe, Y, Watanabe, S. 登録日 2020-04-24 公開日 2020-05-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism. Biochem.Biophys.Res.Commun., 528, 2020
6T2D	Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions 分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... 著者 Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. 登録日 2019-10-08 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
6T2I	3C-like protease from Southampton virus complexed with FMOPL000157a. 分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, N-(2-phenylethyl)methanesulfonamide 著者 Guo, J, Cooper, J.B. 登録日 2019-10-08 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
7C06	Crystal structure of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. 分子名称: RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... 著者 Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. 登録日 2020-04-30 公開日 2020-09-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.02 Å) 主引用文献 Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1. Nat Commun, 11, 2020
6T2S	Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown 分子名称: Glycoside hydrolase family 16 protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose 著者 Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. 登録日 2019-10-09 公開日 2020-07-08 最終更新日 2020-08-26 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
5MZG	Crystal structure of mouse MTH1 in complex with TH588 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ... 著者 Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. 登録日 2017-01-31 公開日 2018-01-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
5MYV	Crystal structure of SRPK2 in complex with compound 1 分子名称: 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ... 著者 Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2017-01-29 公開日 2017-05-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
5MZM	Structure of H-2Db in complex with TEIPP APL Trh4 p3P 分子名称: Beta-2-microglobulin, Ceramide synthase 5 derived peptide Trh4 p3P, GLYCEROL, ... 著者 Hafstrand, I, Achour, A, Sandalova, T. 登録日 2017-02-01 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability. J. Immunol., 200, 2018
5MZJ	Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... 著者 Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. 登録日 2017-01-31 公開日 2017-07-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
6T4C	Bovine enterovirus F3 in complex with glutathione 分子名称: GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... 著者 Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. 登録日 2019-10-13 公開日 2020-01-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
5MZR	X-ray structure of the H235Q mutant of GLIC in complex with propofol 分子名称: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... 著者 Fourati, Z, Delarue, M. 登録日 2017-02-01 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 X-ray structure of the H235Q mutant of GLIC in complex with propofol To Be Published
7BGZ	Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand 分子名称: 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID 著者 Loch, J.I, Siuda, M.K, Lewinski, K. 登録日 2021-01-09 公開日 2021-01-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.401 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
6T50	ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand Glenmark 分子名称: 25-HYDROXYCHOLESTEROL, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ... 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
5N0A	Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 HEAVY CHAIN, Envelope Glycoprotein E, ... 著者 Vaney, M.C, Rouvinski, A, Guardado-Calvo, P, Sharma, A, Rey, F.A. 登録日 2017-02-02 公開日 2017-06-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.9 Å) 主引用文献 Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope. Nat Commun, 8, 2017
5N0W	Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAM 分子名称: GLYCEROL, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE 著者 Song, H, Naismith, J.H. 登録日 2017-02-03 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds. Sci Adv, 4, 2018
6T5B	KRasG12C ligand complex 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Phillips, C. 登録日 2019-10-15 公開日 2020-02-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020

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