PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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5ILP	H64Q sperm whale myoglobin with a Fe-tolyl moiety 分子名称: GLYCEROL, Myoglobin, SULFATE ION, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2016-03-04 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5I3X	Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 分子名称: Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide 著者 Whittington, D.A, Long, A.M. 登録日 2016-02-11 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
5IPJ	Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. 分子名称: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 著者 Mohr, C. 登録日 2016-03-09 公開日 2016-06-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors. J.Med.Chem., 59, 2016
5IRG	Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P212121 space group 分子名称: POTASSIUM ION, Retron-type reverse transcriptase 著者 Zhao, C, Pyle, A.M. 登録日 2016-03-13 公開日 2016-05-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution. Nat.Struct.Mol.Biol., 23, 2016
5IRV	Human cytochrome P450 17A1 bound to inhibitor VT-464 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 著者 Scott, E.E, Petrunak, E.M. 登録日 2016-03-14 公開日 2017-03-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.098 Å) 主引用文献 Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
7LXL	Crystal structure of human CYP3A4 bound to the testosterone dimer 分子名称: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2021-03-04 公開日 2021-04-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4. Eur.J.Med.Chem., 220, 2021
8IQ0	Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... 著者 Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. 登録日 2023-03-15 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme. Cell Rep, 42, 2023
8IQ1	Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... 著者 Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. 登録日 2023-03-15 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme. Cell Rep, 42, 2023
8IBX	Structure of R2 with 3'UTR and DNA in unwinding state 分子名称: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ... 著者 Deng, P, Tan, S, Wang, J, Liu, J.J. 登録日 2023-02-10 公開日 2023-09-20 実験手法 ELECTRON MICROSCOPY (3.74 Å) 主引用文献 Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon. Cell, 186, 2023
6JLI	Crystal structure of CTLD7 domain of human PLA2R 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Secretory phospholipase A2 receptor 著者 Yu, B, Hu, Z, Kong, D, Cheng, C, He, Y. 登録日 2019-03-06 公開日 2019-07-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.778 Å) 主引用文献 Crystal structure of the CTLD7 domain of human M-type phospholipase A2 receptor. J.Struct.Biol., 207, 2019
8IA3	Crystal structure of human USF2 bHLHLZ domain in complex with DNA 分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2 著者 Huang, C, Fang, P, Wang, J. 登録日 2023-02-07 公開日 2023-09-20 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain. J.Biol.Chem., 299, 2023
5I3Y	Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9 分子名称: Beta-secretase 1, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide 著者 Whittington, D.A, Long, A.M. 登録日 2016-02-11 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
5I3W	Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Whittington, D.A, Long, A.M. 登録日 2016-02-11 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
8IBW	Structure of R2 with 3'UTR and DNA in binding state 分子名称: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ... 著者 Deng, P, Tan, S, Wang, J, Liu, J.J. 登録日 2023-02-10 公開日 2023-09-20 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon. Cell, 186, 2023
8C9I	Cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis 分子名称: Cytochrome P450 141, HEME B/C 著者 Selvam, I.R. 登録日 2023-01-23 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 2.05 Angstrom structure of cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis To Be Published
8IBZ	Structure of R2 with 5'ORF and 3'UTR 分子名称: 5ORF-linker-3UTR, Reverse transcriptase-like protein, ZINC ION 著者 Deng, P, Tan, S, Wang, J, Liu, J.J. 登録日 2023-02-10 公開日 2023-09-20 実験手法 ELECTRON MICROSCOPY (3.04 Å) 主引用文献 Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon. Cell, 186, 2023
5I4Y	Exploring onset of lysozyme denaturation by urea: soak period 10 hours. 分子名称: CHLORIDE ION, Lysozyme C, UREA 著者 Hosur, M.V, Raskar, T, Khavnekar, S. 登録日 2016-02-13 公開日 2017-02-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.607 Å) 主引用文献 Time-dependent X-ray diffraction studies on urea/hen egg white lysozyme complexes reveal structural changes that indicate onset of denaturation Sci Rep, 6, 2016
5ZFH	Mouse Kallikrein 7 分子名称: Kallikrein-7 著者 Sugawara, H. 登録日 2018-03-06 公開日 2018-06-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
8IBY	Structure of R2 with 5'ORF 分子名称: 5'ORF RNA, Reverse transcriptase-like protein, ZINC ION 著者 Deng, P, Tan, S, Wang, J, Liu, J.J. 登録日 2023-02-10 公開日 2023-09-20 実験手法 ELECTRON MICROSCOPY (3.47 Å) 主引用文献 Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon. Cell, 186, 2023
8COO	Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA 分子名称: Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3') 著者 Nicastro, G, Abis, G, Taylor, I.A, Ramos, A. 登録日 2023-02-28 公開日 2024-02-07 実験手法 SOLUTION NMR 主引用文献 Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers. Nucleic Acids Res., 51, 2023
7LJX	Oxidized rat cytochrome c mutant (K53Q) 分子名称: Cytochrome c, somatic, HEME C, ... 著者 Huttemann, M, Edwards, B.F.P, Brunzelle, J.S, Vaishnav, A. 登録日 2021-02-01 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis. Cells, 10, 2021
5Z2T	Crystal structure of DNA-bound DUX4-HD2 分子名称: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4 著者 Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G. 登録日 2018-01-04 公開日 2018-04-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.623 Å) 主引用文献 Structural basis of DUX4/IGH-driven transactivation. Leukemia, 32, 2018
6JKK	Crystal structure of BubR1 kinase domain 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 著者 Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. 登録日 2019-03-01 公開日 2019-06-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
5IBI	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a 分子名称: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBE	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.624 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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