4UBA
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![BU of 4uba by Molmil](/molmil-images/mine/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
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6DY0
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![BU of 6dy0 by Molmil](/molmil-images/mine/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
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/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
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4UI1
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![BU of 4ui1 by Molmil](/molmil-images/mine/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
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2M3T
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2LUH
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![BU of 2luh by Molmil](/molmil-images/mine/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
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6D9R
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![BU of 6d9r by Molmil](/molmil-images/mine/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
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6DAO
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![BU of 6dao by Molmil](/molmil-images/mine/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
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2MDW
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4UJA
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![BU of 4uja by Molmil](/molmil-images/mine/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
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2MJI
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![BU of 2mji by Molmil](/molmil-images/mine/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
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6DC3
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![BU of 6dc3 by Molmil](/molmil-images/mine/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
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4UJ2
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![BU of 4uj2 by Molmil](/molmil-images/mine/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
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6DI5
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![BU of 6di5 by Molmil](/molmil-images/mine/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
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2LZE
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![BU of 2lze by Molmil](/molmil-images/mine/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
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2MDG
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![BU of 2mdg by Molmil](/molmil-images/mine/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
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2MO5
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![BU of 2mo5 by Molmil](/molmil-images/mine/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
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2M89
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![BU of 2m89 by Molmil](/molmil-images/mine/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
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4UJ9
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![BU of 4uj9 by Molmil](/molmil-images/mine/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
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2MA6
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![BU of 2ma6 by Molmil](/molmil-images/mine/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
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4UC6
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![BU of 4uc6 by Molmil](/molmil-images/mine/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
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2MAJ
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4UEJ
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![BU of 4uej by Molmil](/molmil-images/mine/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
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6DTK
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![BU of 6dtk by Molmil](/molmil-images/mine/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
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4UEO
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![BU of 4ueo by Molmil](/molmil-images/mine/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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