PDB: 35415 件ウェブページステータス検索Chemie searchBIRD

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4G44	Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline 分子名称: 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
3AES	Structure of the light-independent protochlorophyllide reductase catalyzing a key reduction for greening in the dark 分子名称: IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, Light-independent protochlorophyllide reductase subunit N 著者 Muraki, N, Nomata, J, Shiba, T, Fujita, Y, Kurisu, G. 登録日 2010-02-10 公開日 2010-04-21 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 X-ray crystal structure of the light-independent protochlorophyllide reductase Nature, 465, 2010
3CXY	Crystal structure of the cytochrome P450 CYP121 P346L mutant from M. tuberculosis 分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Leys, D. 登録日 2008-04-25 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of active site structure in CYP121 TO BE PUBLISHED
4G45	Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine 分子名称: 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4G46	Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate 分子名称: 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4PME	Human transthyretin (TTR) complexed with ferulic acid and curcumin. 分子名称: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... 著者 Stura, E.A, Ciccone, L. 登録日 2014-05-21 公開日 2014-10-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.264 Å) 主引用文献 Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures. N Biotechnol, 32, 2014
4P2Y	Crystal structure of the human RAGE ectodomain (fragment VC1C2) in complex with mouse S100A6 分子名称: ACETATE ION, Advanced glycosylation end product-specific receptor, CALCIUM ION, ... 著者 Yatime, L, Andersen, G.R. 登録日 2014-03-05 公開日 2015-03-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Structure of the RAGE:S100A6 Complex Reveals a Unique Mode of Homodimerization for S100 Proteins. Structure, 2016
4FYZ	Crystal Structure of Nitrosyl Cytochrome P450cin 分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ... 著者 Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. 登録日 2012-07-05 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation. Biochemistry, 51, 2012
2F9Q	Crystal Structure of Human Cytochrome P450 2D6 分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Rowland, P. 登録日 2005-12-06 公開日 2005-12-20 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3.002 Å) 主引用文献 Crystal Structure of Human Cytochrome P450 2D6 J.Biol.Chem., 281, 2006
2FDV	Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... 著者 Yano, J.K, Stout, C.D, Johnson, E.F. 登録日 2005-12-14 公開日 2006-11-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
4GL5	Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4) 分子名称: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE 著者 Ghosh, D. 登録日 2012-08-13 公開日 2012-09-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.48 Å) 主引用文献 Novel aromatase inhibitors by structure-guided design. J.Med.Chem., 55, 2012
4G2G	Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol 分子名称: 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... 著者 Hudson, S.A. 登録日 2012-07-12 公開日 2012-09-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
3CV8	Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84F mutant) 分子名称: Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE 著者 Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. 登録日 2008-04-18 公開日 2008-11-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1 Biochemistry, 47, 2008
3CXV	Crystal structure of the Cytochrome P450 CYP121 A233G mutant from Mycobacterium tuberculosis 分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Leys, D. 登録日 2008-04-25 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv. J.Biol.Chem., 283, 2008
2FDY	Microsomal P450 2A6 with the inhibitor Adrithiol bound 分子名称: 4,4'-DIPYRIDYL DISULFIDE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Yano, J.K, Stout, C.D, Johnson, E.F. 登録日 2005-12-14 公開日 2006-11-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
3CY0	Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis 分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Leys, D. 登録日 2008-04-25 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterisation of active site structure of cytochrome CYP121 TO BE PUBLISHED
3CXX	Crystal structure of cytochrome P450 CYP121 F338H from M. tuberculosis 分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Leys, D. 登録日 2008-04-25 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterization of the active site structure of CY121 TO BE PUBLISHED
3MOY	Crystal structure of probable enoyl-CoA hydratase from Mycobacterium smegmatis 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2010-04-23 公開日 2010-05-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
8IRG	XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay 分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... 著者 Li, H, Suga, M, Shen, J.R. 登録日 2023-03-17 公開日 2024-01-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
8A5X	Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373 分子名称: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin 著者 Klima, M, Boura, E. 登録日 2022-06-16 公開日 2022-10-05 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold. Bioorg.Med.Chem.Lett., 76, 2022
4Q0R	The catalytic core of Rad2 (complex I) 分子名称: DNA (5'-D(*CP*TP*GP*AP*GP*TP*CP*AP*GP*AP*GP*CP*AP*AP*A)-3'), DNA repair protein RAD2 著者 Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M. 登録日 2014-04-02 公開日 2014-08-27 最終更新日 2017-08-09 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Nucleic Acids Res., 42, 2014
5L91	The 2.2 A crystal structure of CYP109E1 from Bacillus megaterium bound with four corticosterone molecules 分子名称: CORTICOSTERONE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2016-06-09 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
8FEZ	Prefusion-stabilized SARS-CoV-2 spike protein 分子名称: Spike glycoprotein 著者 Gonzalez, K.J, Mousa, J.J, Strauch, E.M. 登録日 2022-12-07 公開日 2023-04-12 実験手法 ELECTRON MICROSCOPY (3.72 Å) 主引用文献 A general computational design strategy for stabilizing viral class I fusion proteins. Biorxiv, 2023
4Q0Z	The catalytic core of Rad2 in complex with DNA substrate (complex III) 分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*AP*GP*AP*CP*AP*AP*GP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*CP*CP*TP*TP*GP*TP*CP*TP*CP*AP*GP*T)-3'), ... 著者 Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M. 登録日 2014-04-02 公開日 2014-08-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.398 Å) 主引用文献 Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Nucleic Acids Res., 42, 2014
6AA5	Crystal structure of MTH1 in complex with 3-isomangostin 分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... 著者 Yokoyama, T, Kitakami, R, Mizuguchi, M. 登録日 2018-07-17 公開日 2019-03-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019

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