PDB: 242842 件ウェブページステータス検索Chemie searchBIRD

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6U7U	NMR solution structure of triazole bridged matriptase inhibitor 分子名称: 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP 著者 White, A.M, Harvey, P.J, Durek, T, Craik, D.J. 登録日 2019-09-03 公開日 2020-04-22 最終更新日 2024-10-23 実験手法 SOLUTION NMR 主引用文献 Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
8DJ9	Carbonic Anhydrase II in complex with Ibuprofen 分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ... 著者 Combs, J.C, McKenna, R, Andring, J.T. 登録日 2022-06-30 公開日 2022-11-09 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Ibuprofen: a weak inhibitor of carbonic anhydrase II. Acta Crystallogr.,Sect.F, 78, 2022
7S13	Crystal structure of Fab in complex with mouse CD96 dimer 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... 著者 Lee, P.S, Barman, I, Strop, P. 登録日 2021-08-31 公開日 2021-10-20 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Antibody blockade of CD96 by distinct molecular mechanisms. Mabs, 13, 2021
8WN6	Crystal structure of GH1 beta-glucosidase Td2F2 E352Q sophorose complex 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MALONIC ACID, SODIUM ION, ... 著者 Lin, C.C, Lu, T.J, Fushinobu, S. 登録日 2023-10-05 公開日 2025-01-15 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural Basis for Specific Hydrolysis and Synthesis of beta-1-2-glucosidic linkage by Glucose-tolerant beta-glucosidase Td2F2 To Be Published
5KFZ	Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 14 degree 分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, ... 著者 Gao, Y, Yang, W. 登録日 2016-06-12 公開日 2016-06-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
7RW5	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 分子名称: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Jin, L, Padyana, A.K. 登録日 2021-08-19 公開日 2022-03-23 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
8AO3	Specific covalent inhibitor of ERK2 分子名称: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.778 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8OXE	Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+ 分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION 著者 Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M. 登録日 2023-05-02 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1). Biochemistry, 63, 2024
8WS7	Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex 分子名称: Cas12-1, NTS, TS, ... 著者 Kuo, Z, Xi, Z. 登録日 2023-10-16 公開日 2025-04-16 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3.26 Å) 主引用文献 Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex To Be Published
6VVJ	Cap1G-TPUA 分子名称: RNA (130-MER) 著者 Summers, M.F, Brown, J.D. 登録日 2020-02-18 公開日 2020-04-29 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structural basis for transcriptional start site control of HIV-1 RNA fate. Science, 368, 2020
9DUI	Re-refined of Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa (1JS3) with ketoenamine form of carbidopa 分子名称: (2S)-3-(3,4-dihydroxyphenyl)-2-[(2E)-2-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)hydrazin-1-yl]-2-methylpropanoic acid, Aromatic-L-amino-acid decarboxylase, SULFATE ION 著者 Doukov, I.T, Berkowitz, B.D. 登録日 2024-10-03 公開日 2025-09-10 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 alpha-Hydrazino Acids Inhibit Pyridoxal Phosphate-Dependent Decarboxylases via "Catalytically Correct" Ketoenamine Tautomers: A Special Motif for Chemical Biology and Drug Discovery? Acs Catalysis, 15, 2025
8WRR	Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex 分子名称: Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex, NTS, RNA (39-MER), ... 著者 Zhang, X, Zhang, K. 登録日 2023-10-16 公開日 2025-04-16 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex To Be Published
9DHB	STRUCTURE OF SERINE HYDROXYMETHYLTRANSFERASE 5 FROM GLYCINE MAX CULTIVAR ESSEX COMPLEXED WITH PLP-GLYCINE AND 5-FORMYLTETRAHYDROFOLATE 分子名称: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... 著者 Beamer, L.J, Owuocha, L.F. 登録日 2024-09-03 公開日 2025-09-17 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 STRUCTURE OF SERINE HYDROXYMETHYLTRANSFERASE 5 FROM GLYCINE MAX CULTIVAR ESSEX COMPLEXED WITH PLP-GLYCINE AND 5-FORMYLTETRAHYDROFOLATE To Be Published
8WRQ	Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex 分子名称: Cas12-1, CrRNA, NTS, ... 著者 Zhang, K, Zhang, X. 登録日 2023-10-16 公開日 2025-04-16 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (3.05 Å) 主引用文献 Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex To Be Published
8APF	rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... 著者 Muehleip, A, Gahura, O, Zikova, A, Amunts, A. 登録日 2022-08-09 公開日 2022-10-26 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
8WS9	Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex 分子名称: Cas12-1, NTS, TS, ... 著者 Kuo, Z, Xi, Z. 登録日 2023-10-17 公開日 2025-04-16 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (3.78 Å) 主引用文献 Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
8WRS	Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex 分子名称: Cas12-1, NTS, RNA, ... 著者 Kuo, Z, Xi, Z. 登録日 2023-10-16 公開日 2025-04-16 最終更新日 2025-06-25 実験手法 ELECTRON MICROSCOPY (2.93 Å) 主引用文献 Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
8APD	rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... 著者 Muehleip, A, Gahura, O, Zikova, A, Amunts, A. 登録日 2022-08-09 公開日 2022-10-26 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
8WRP	Cryo-EM structure of Cas12-1 with 20 nt complementary heteroduplex 分子名称: Cas12-1, DNA (28-MER), DNA (5'-D(P*TP*GP*GP*CP*CP*AP*AP*TP*TP*C)-3'), ... 著者 Kuo, Z, Xi, Z. 登録日 2023-10-16 公開日 2025-04-16 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (2.83 Å) 主引用文献 Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
5XVU	Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... 著者 El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q. 登録日 2017-06-28 公開日 2017-07-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018
5KGI	Crystal structure of PIM1 with inhibitor 2-[3,4-bis(chloranyl)phenoxy]ethanamine 分子名称: 1,2-ETHANEDIOL, 2-[3,4-bis(chloranyl)phenoxy]ethanamine, SULFATE ION, ... 著者 Ferguson, A.D. 登録日 2016-06-13 公開日 2017-08-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structure of PIM1 in complex with inhibitor To Be Published
9HRC	Structure of MNK2 in complex with inhibitor NUCC-0201049 分子名称: 1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole, GLYCEROL, MAP kinase-interacting serine/threonine-protein kinase 2, ... 著者 Schiltz, G.E, Vagadia, P.V. 登録日 2024-12-17 公開日 2025-03-12 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (3.161 Å) 主引用文献 Discovery of Potent and Selective MNK Kinase Inhibitors for the Treatment of Leukemia. J.Med.Chem., 68, 2025
6BG9	HYBRID NMR/CRYO-EM STRUCTURE OF THE HIV-1 RNA DIMERIZATION SIGNAL 分子名称: RNA dimerization signal 著者 Summers, M.F. 登録日 2017-10-27 公開日 2018-02-21 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (9 Å), SOLUTION NMR 主引用文献 Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach. Structure, 26, 2018
8AP6	Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... 著者 Muehleip, A, Gahura, O, Zikova, A, Amunts, A. 登録日 2022-08-09 公開日 2022-12-07 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
5GV1	Crystal structure of ENZbleach xylanase wild type 分子名称: Endo-1,4-beta-xylanase 著者 Chitnumsub, P, Jaruwat, A, Boonyapakorn, K, Noytanom, K. 登録日 2016-09-01 公開日 2017-08-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching J. Biotechnol., 259, 2017

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