PDB: 217477 件ウェブページステータス検索Chemie searchBIRD

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4UBA	Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) 分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, Casein kinase II subunit alpha 著者 Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. 登録日 2014-08-12 公開日 2015-07-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.995 Å) 主引用文献 A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
6DY0	Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726, in presence of Triton X-100 分子名称: (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... 著者 Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. 登録日 2018-07-01 公開日 2018-09-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.014 Å) 主引用文献 Molecular mechanism of activation of the immunoregulatory amidase NAAA. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DI9	CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR 分子名称: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK 著者 GARDBERG, A. 登録日 2018-05-23 公開日 2018-09-05 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
4UI1	Crystal structure of the human RGMC-BMP2 complex 分子名称: 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ... 著者 Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. 登録日 2015-03-27 公開日 2015-05-06 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
2M3T	Solution-state NMR structure of wild-type human gamma(S)-crystallin 分子名称: Beta-crystallin S 著者 Brubaker, W.D, Martin, R.W. 登録日 2013-01-25 公開日 2013-11-13 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Preferential and Specific Binding of Human alpha B-Crystallin to a Cataract-Related Variant of gamma S-Crystallin. Structure, 21, 2013
2LUH	NMR structure of the Vta1-Vps60 complex 分子名称: Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60 著者 Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z. 登録日 2012-06-13 公開日 2012-11-07 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway. J.Biol.Chem., 287, 2012
6D9R	The substrate-bound crystal structure of HPRT (hypoxanthine phosphoribosyltransferase) 分子名称: 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, ... 著者 Satyshur, K.A, Wolak, C, Anderson, B, Dubiel, K, Keck, J.L. 登録日 2018-04-30 公開日 2019-05-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Evolution of (p)ppGpp-HPRT regulation through diversification of an allosteric oligomeric interaction. Elife, 8, 2019
6DAO	NahE WT selenomethionine 分子名称: Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase 著者 Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. 登録日 2018-05-01 公開日 2019-05-08 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.939 Å) 主引用文献 Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily. Biochemistry, 57, 2018
2MDW	NMR structure of a strand-swapped dimer of the WW domain 分子名称: Designed protein 著者 Kier, B.L, Sheffler, W, Baker, D. 登録日 2013-09-18 公開日 2014-10-01 実験手法 SOLUTION NMR 主引用文献 Covalent Assembly of Homooligomeric Proteins Using Structure-templating Hubs To be Published
4UJA	Protein Kinase A in complex with an Inhibitor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ... 著者 Alam, K.A, Engh, R.A. 登録日 2015-04-09 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. Chemistry, 22, 2016
2MJI	HIFABP_Ketorolac_complex 分子名称: (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, Fatty acid-binding protein, intestinal 著者 Patil, R, Laguerre, A, Wielens, J, Headey, S, Williams, M, Mohanty, B, Porter, C, Scanlon, M. 登録日 2014-01-09 公開日 2014-10-29 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Characterization of two distinct modes of drug binding to human intestinal Fatty Acid binding protein. Acs Chem.Biol., 9, 2014
6DC3	RSV prefusion F bound to RSD5 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab RSD5-Germline Heavy Chain, Fab RSD5-Germline Light Chain, ... 著者 Battles, M.B, McLellan, J.S, Jones, H.J. 登録日 2018-05-04 公開日 2019-07-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.501 Å) 主引用文献 Alternative conformations of a major antigenic site on RSV F. Plos Pathog., 15, 2019
4UJ2	Protein Kinase A in complex with an Inhibitor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... 著者 Alam, K.A, Engh, R.A. 登録日 2015-04-07 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.019 Å) 主引用文献 Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. Chemistry, 22, 2016
6DI5	CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR 分子名称: 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK 著者 Gardberg, A. 登録日 2018-05-22 公開日 2018-09-05 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
2LZE	Ligase 10C 分子名称: ZINC ION, a primordial catalytic fold generated by in vitro evolution 著者 Chao, F, Morelli, A, Haugner, J, Churchfield, L, Hagmann, L, Shi, L, Masterson, L, Sarangi, R, Veglia, G, Seelig, B. 登録日 2012-10-01 公開日 2012-10-24 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structure and dynamics of a primordial catalytic fold generated by in vitro evolution. Nat.Chem.Biol., 9, 2013
2MDG	Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F 分子名称: ZINC ION, Zinc finger protein 423 著者 Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG) 登録日 2013-09-10 公開日 2013-09-25 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F To be Published
2MO5	hIFABP-oleate complex 分子名称: Fatty acid-binding protein, intestinal, OLEIC ACID 著者 Patil, R, Mohanty, B, Headey, S, Porter, C, Scanlon, M. 登録日 2014-04-17 公開日 2015-04-22 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structure of oleate bound human intestinal fatty acid binding protein To be Published
2M89	Solution structure of the Aha1 dimer from Colwellia psychrerythraea 分子名称: Aha1 domain protein 著者 Rossi, P, Sgourakis, N.G, Shi, L, Liu, G, Barbieri, C.M, Lee, H, Grant, T.D, Luft, J.R, Xiao, R, Acton, T.B, Montelione, G.T, Snell, E.H, Baker, D, Lange, O.A, Northeast Structural Genomics Consortium (NESG) 登録日 2013-05-09 公開日 2013-09-04 最終更新日 2024-05-01 実験手法 SOLUTION NMR, SOLUTION SCATTERING 主引用文献 A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins, 83, 2015
4UJ9	Protein Kinase A in complex with an Inhibitor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Alam, K.A, Engh, R.A. 登録日 2015-04-09 公開日 2016-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. Chemistry, 22, 2016
2MA6	Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A 分子名称: E3 ubiquitin-protein ligase RNF123, ZINC ION 著者 Ramelot, T.A, Yang, Y, Janjua, H, Kohan, E, Wang, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) 登録日 2013-06-28 公開日 2013-07-31 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A To be Published
4UC6	N-terminal globular domain of the RSV Nucleoprotein 分子名称: NUCLEOPROTEIN, SULFATE ION 著者 Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. 登録日 2014-12-03 公開日 2015-08-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
2MAJ	Solution Structure of the STIM1 CC1-CC2 homodimer. 分子名称: Stromal interaction molecule 1 著者 Stathopulos, P.B, Ikura, M. 登録日 2013-07-12 公開日 2014-01-15 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry. Nat Commun, 4, 2013
4UEJ	Closed state of galactitol-1-phosphate 5-dehydrogenase from E. coli in complex with glycerol. 分子名称: GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, GLYCEROL, ZINC ION 著者 Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. 登録日 2014-12-18 公開日 2015-07-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli Acta Crystallogr.,Sect.D, 71, 2015
6DTK	Heterodimers of FALS mutant SOD enzyme 分子名称: COPPER (II) ION, MALONATE ION, Superoxide dismutase C111S/D83S-C111S HETERODIMER, ... 著者 Streltsov, V.A, Nuttall, S.D, Ganio, K.E, Roberts, B. 登録日 2018-06-17 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural characterization of heterodimers of FALS mutant SOD enzyme To Be Published
4UEO	Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. 分子名称: GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION 著者 Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. 登録日 2014-12-18 公開日 2015-07-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli Acta Crystallogr.,Sect.D, 71, 2015

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