PDB: 47065 件ウェブページステータス検索Chemie searchBIRD

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5UE3	proMMP-9desFnII 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ... 著者 Alexander, R.S, Spurlino, J, Milligan, C. 登録日 2016-12-29 公開日 2017-09-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
2NPC	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance 分子名称: ACETATE ION, Ammonia channel, IMIDAZOLE 著者 Lupo, D, Winkler, F.K. 登録日 2006-10-27 公開日 2006-11-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
6ASD	Zinc finger region of human TET1 in complex with CpG DNA 分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase TET1, UNKNOWN ATOM OR ION, ... 著者 Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2017-08-24 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
4YD5	Endothiapepsin in complex with fragment 236 分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.209 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
2NPK	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance 分子名称: ACETATE ION, Ammonia channel, GLYCEROL, ... 著者 Lupo, D, Winkler, F.K. 登録日 2006-10-27 公開日 2006-11-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
4YBF	Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution 分子名称: Candidapepsin-2, DI(HYDROXYETHYL)ETHER 著者 Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. 登録日 2015-02-18 公開日 2016-01-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
6B3W	Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one 分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... 著者 Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. 登録日 2017-09-25 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
2NDN	NMR solution structure of PawS Derived Peptide 20 (PDP-20) 分子名称: PawS1a Derived Peptide 20 著者 Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K. 登録日 2016-07-26 公開日 2016-08-24 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana). Biopolymers, 106, 2016
2NPJ	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance 分子名称: ACETATE ION, Ammonia channel, IMIDAZOLE 著者 Lupo, D, Winkler, F.K. 登録日 2006-10-27 公開日 2006-11-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
4YU1	Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A 分子名称: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-18 公開日 2016-03-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase To Be Published
4Y3H	Endothiapepsin in complex with fragment 189 分子名称: 2-(pyridin-3-yl)ethanamine, ACETATE ION, Endothiapepsin, ... 著者 Ehrmann, F.R, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library To Be Published
6B65	IMPase (AF2372) R92Q/K164E 分子名称: DI(HYDROXYETHYL)ETHER, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ISOPROPYL ALCOHOL, ... 著者 Goldstein, R.I, Roberts, M. 登録日 2017-10-01 公開日 2018-10-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.702 Å) 主引用文献 Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
5UC5	Chalcone synthase from Malus domestica 分子名称: CHS2 chalcone synthase 著者 Stewart Jr, C.E, Noel, J.P. 登録日 2016-12-21 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.102 Å) 主引用文献 Molecular architectures of benzoic acid-specific type III polyketide synthases. Acta Crystallogr D Struct Biol, 73, 2017
4Y51	Endothiapepsin in complex with fragment 52 分子名称: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5B	Endothiapepsin in complex with fragment 261 分子名称: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
6AO6	Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) 分子名称: COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... 著者 Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. 登録日 2017-08-15 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
6B8A	Crystal structure of MvfR ligand binding domain in complex with M64 分子名称: 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, COBALT HEXAMMINE(III), DNA-binding transcriptional regulator 著者 Kitao, T, Steinbacher, S, Maskos, K, Blaesse, M, Rahme, L.G. 登録日 2017-10-05 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Molecular Insights into Function and Competitive Inhibition ofPseudomonas aeruginosaMultiple Virulence Factor Regulator. MBio, 9, 2018
4Y5P	Endothiapepsin in complex with fragment 338 分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.229 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5UEK	Structure of antigen-Fab 12E complex with Histone chaperone ASF1 分子名称: Fab 12E Heavy Chain, Fab 12E Light Chain, Histone chaperone ASF1 著者 Bailey, L.J, Kossiakoff, A.A. 登録日 2017-01-02 公開日 2018-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Antibody Switch Residue Engineering for Improved Crystallization Chaperones To Be Published
6B8Y	TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 分子名称: N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TGF-beta receptor type-1 著者 Sheriff, S. 登録日 2017-10-09 公開日 2018-02-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI). Bioorg. Med. Chem., 26, 2018
5UE6	Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group I4122 分子名称: COPPER (II) ION, Nitrite reductase, SODIUM ION 著者 Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V. 登録日 2016-12-29 公開日 2017-02-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA. Antimicrob. Agents Chemother., 61, 2017
2NBV	Solution structure of the Rpn13 Pru domain engaging the hPLIC2 UBL domain 分子名称: Proteasomal ubiquitin receptor ADRM1, Ubiquilin-2 著者 Chen, X, Walters, K.J. 登録日 2016-03-12 公開日 2016-07-20 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome. Structure, 24, 2016
4YL9	Crystal Structure of wild-type of hsp14.1 from Sulfolobus solfatataricus P2 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Heat shock protein Hsp20 著者 Liu, L, Chen, J.Y, Yun, C.H. 登録日 2015-03-05 公開日 2015-11-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.353 Å) 主引用文献 Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function Structure, 23, 2015
6AUY	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine 分子名称: 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2017-09-01 公開日 2018-07-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
4Y8V	Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, alpha subunit of acetyl-CoA synthetase (NDP forming), ... 著者 Weisse, R.H.-J, Scheidig, A.J. 登録日 2015-02-16 公開日 2016-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. Proc.Natl.Acad.Sci.USA, 113, 2016

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