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

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5KMD	Structure of CavAb in complex with amlodipine 分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... 著者 Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. 登録日 2016-06-26 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
7V3D	Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its inhibitor 分子名称: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Hayashi, H, Murayama, K. 登録日 2021-08-10 公開日 2022-07-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol, 5, 2022
5OD9	Structure of the engineered metalloesterase MID1sc9 分子名称: (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Studer, S, Mittl, P.R.E, Hilvert, D. 登録日 2017-07-05 公開日 2018-12-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Evolution of a highly active and enantiospecific metalloenzyme from short peptides. Science, 362, 2018
7VGN	Crystal structure of CmnC 分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CmnC, ... 著者 Huang, S.J, Hsiao, Y.H, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. 登録日 2021-09-17 公開日 2022-09-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
5O80	Crystal Structure of R67A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum in complex with L-Arabinofuranose 分子名称: 1,4-DIETHYLENE DIOXIDE, Intracellular exo-alpha-(1->5)-L-arabinofuranosidase, alpha-L-arabinofuranose 著者 Lafite, P, Daniellou, R. 登録日 2017-06-12 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.915 Å) 主引用文献 To be announced To Be Published
6IYK	The structure of EntE with 2-nitrobenzoyl adenylate analog 分子名称: 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine 著者 Miyanaga, A, Ishikawa, F. 登録日 2018-12-17 公開日 2019-04-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket. Angew.Chem.Int.Ed.Engl., 58, 2019
7L04	Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2 分子名称: Importin subunit alpha-1, VP1 著者 Hoad, M, Forwood, J. 登録日 2020-12-11 公開日 2021-02-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2 To Be Published
7VKF	Reduced enzyme of FAD-dpendent Glucose Dehydrogenase complex with D-glucono-1,5-lactone at pH8.5 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-glucono-1,5-lactone, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... 著者 Nakajima, Y, Nishiya, Y, Ito, K. 登録日 2021-09-29 公開日 2022-10-05 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Conformational change of catalytic residue in reduced enzyme of FAD-dependent Glucose Dehydrogenase at pH6.5 To Be Published
6Y49	Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment 分子名称: A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE 著者 Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. 登録日 2020-02-19 公開日 2020-09-16 最終更新日 2020-09-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
7VGL	Crystal structure of CmnC 分子名称: ACETATE ION, CmnC 著者 Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. 登録日 2021-09-17 公開日 2022-09-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
5VJ9	Guanidine-II riboswitch P2 hairpin dimer from Pseudomonas aeruginosa 分子名称: GUANIDINE, MAGNESIUM ION, POTASSIUM ION, ... 著者 Reiss, C.W, Strobel, S.A. 登録日 2017-04-19 公開日 2017-06-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Structural basis for ligand binding to the guanidine-II riboswitch. RNA, 23, 2017
8BPV	Crystal structure of JAK2 JH1 in complex with pacritinib 分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 著者 Miao, Y, Haikarainen, T. 登録日 2022-11-18 公開日 2023-11-29 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
8BQA	CjCel5B endo-glucanase bound to CB665 covalent inhibitor 分子名称: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ... 著者 McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. 登録日 2022-11-20 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
5OHN	Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (low resolution) 分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION 著者 Gersch, M, Komander, D. 登録日 2017-07-17 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Mechanism and regulation of the Lys6-selective deubiquitinase USP30. Nat. Struct. Mol. Biol., 24, 2017
5KLB	Crystal structure of the CavAb voltage-gated calcium channel(wild-type, 2.7A) 分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ... 著者 Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. 登録日 2016-06-23 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
5OJN	Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose 分子名称: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose 著者 Pannek, M, Steegborn, C. 登録日 2017-07-22 公開日 2017-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features. Nat Commun, 8, 2017
6Y33	Streptavidin mutant S112R with a biotC5-1 cofactor - an artificial iron hydroxylase 分子名称: GLYCEROL, Streptavidin, biotC5-1 cofactor 著者 Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. 登録日 2020-02-17 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
6S0Y	Nanobody targeting influenza A matrix protein 2 ectodomain (M2e) 分子名称: M2e-VHH-23m, Matrix protein 2 著者 Van Molle, I, De Vlieger, D, Schepens, B, Remaut, H, Saelens, X. 登録日 2019-06-18 公開日 2020-01-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Selective Engagement of Fc gamma RIV by a M2e-Specific Single Domain Antibody Construct Protects Against Influenza A Virus Infection. Front Immunol, 10, 2019
8BQC	CjCel5B endo-glucanase 分子名称: Endoglucanase 著者 McGregor, N.G.S, Davies, G.J. 登録日 2022-11-20 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
5KS9	Bel502-DQ8-glia-alpha1 complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel502 TCR alpha TRAV20*01, Bel502 TCR beta TRBV9*01, ... 著者 Petersen, J, Rossjohn, J, Reid, H.H. 登録日 2016-07-08 公開日 2016-09-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution. Structure, 24, 2016
8BM2	Crystal structure of JAK2 JH1 in complex with gandotinib 分子名称: 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2 著者 Miao, Y, Haikarainen, T. 登録日 2022-11-10 公開日 2023-11-22 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
5KLS	Structure of CavAb in complex with Br-dihydropyridine derivative UK-59811 分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... 著者 Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. 登録日 2016-06-25 公開日 2016-08-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.299 Å) 主引用文献 Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
5KMH	Structure of CavAb in complex with Br-verapamil 分子名称: (2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... 著者 Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. 登録日 2016-06-27 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
6S50	scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes 分子名称: GLYCEROL, SULFATE ION, Streptavidin, ... 著者 Rebelein, J.G. 登録日 2019-06-29 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes. J.Am.Chem.Soc., 141, 2019
6J84	Crystal structure of TleB with hydroxyl analog 分子名称: (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Nakamura, H, Mori, T, Abe, I. 登録日 2019-01-18 公開日 2019-08-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019

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