PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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4N19	Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION 著者 Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G. 登録日 2013-10-03 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12. Biochem.J., 458, 2014
4N26	Crystal structure of Protein Arginine Deiminase 2 (500 uM Ca2+) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... 著者 Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. 登録日 2013-10-04 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.943 Å) 主引用文献 Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
4N2L	Crystal structure of Protein Arginine Deiminase 2 (Q350A, 10 mM Ca2+) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... 著者 Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. 登録日 2013-10-05 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
4N6C	Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36. 分子名称: BROMIDE ION, uncharacterized protein 著者 Vorobiev, S, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) 登録日 2013-10-11 公開日 2013-10-30 実験手法 X-RAY DIFFRACTION (1.548 Å) 主引用文献 Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. To be Published
4N2B	Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 著者 Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. 登録日 2013-10-04 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
4MNI	Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 分子名称: BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit 著者 Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) 登録日 2013-09-10 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
4NA7	Factor XIA in complex with the inhibitor 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid 分子名称: 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid, Coagulation factor XI, SULFATE ION 著者 Wei, A. 登録日 2013-10-21 公開日 2014-02-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
4NLH	SKICH domain of human TAX1BP1 分子名称: Tax1-binding protein 1 著者 Yang, Y, Wang, G, Huang, X, Zhu, J, Du, Z. 登録日 2013-11-14 公開日 2014-12-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 SKICH domain of human TAX1BP1 To be published
4O05	Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease 分子名称: 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha 著者 Zuccola, H.J, Ernst, J.T. 登録日 2013-12-13 公開日 2014-04-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
4O1T	Crystal structure of murine neuroglobin mutant F106W 分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Avella, G, Savino, C, Vallone, B. 登録日 2013-12-16 公開日 2014-06-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
4NTZ	Crystal structure of Adenylate kinase from Streptococcus pneumoniae 分子名称: Adenylate kinase, SULFATE ION 著者 Thach, T.T, Luong, T.T, Lee, S.H, Rhee, D.K. 登録日 2013-12-03 公開日 2014-07-23 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Adenylate kinase from Streptococcus pneumoniae is essential for growth through its catalytic activity FEBS Open Bio, 4, 2014
4NVQ	Human G9a in Complex with Inhibitor A-366 分子名称: 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... 著者 Sweis, R.F, Pliushchev, M, Brown, P.J, Guo, J, Li, F, Maag, D, Petros, A.M, Soni, N.B, Tse, C, Vedadi, M, Michaelides, M.R, Chiang, G.G, Pappano, W.N. 登録日 2013-12-05 公開日 2014-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Discovery and development of potent and selective inhibitors of histone methyltransferase g9a. ACS Med Chem Lett, 5, 2014
4NY9	Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide 分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2 著者 Khan, J.A, Camac, D.M. 登録日 2013-12-10 公開日 2014-08-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. J.Med.Chem., 57, 2014
4NPI	1.94 Angstroms X-ray crystal structure of NAD- and intermediate- bound alpha-aminomuconate-epsilon-semialdehyde dehydrogenase from Pseudomonas fluorescens 分子名称: (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Huo, L, Davis, I, Liu, F, Iwaki, H, Hasegawa, Y, Liu, A. 登録日 2013-11-21 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
4EYV	Crystal structure of Cyclophilin A like protein from Piriformospora indica 分子名称: PHOSPHATE ION, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase, ... 著者 Bhatt, H, Pal, R.K, Tuteja, N, Bhavesh, N.S. 登録日 2012-05-02 公開日 2013-05-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structure of RNA-interacting Cyclophilin A-like protein from Piriformospora indica that provides salinity-stress tolerance in plants Sci Rep, 3, 2013
4F4P	SYK in COMPLEX WITH LIGAND LASW836 分子名称: N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine, SULFATE ION, Tyrosine-protein kinase SYK 著者 Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. 登録日 2012-05-11 公開日 2012-12-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Highly potent aminopyridines as Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4NR0	Crystal structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with NAD+ and triclosan 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN 著者 Chi, Y.M, Lee, J.H, Park, A.K. 登録日 2013-11-26 公開日 2014-11-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Crystal Structures of Pseudomonas aeruginosa Enoyl-ACP Reductase (FabI) in the Presence and Absence of NAD+ and Triclosan Bull.Korean Chem.Soc., 36, 2015
4F8A	Cyclic nucleotide binding-homology domain from mouse EAG1 potassium channel 分子名称: Potassium voltage-gated channel subfamily H member 1 著者 Marques-Carvalho, M.J, Sahoo, N, Muskett, F.W, Vieira-Pires, R.S, Gabant, G, Cadene, M, Schonherr, R, Morais-Cabral, J.H. 登録日 2012-05-17 公開日 2012-07-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural, Biochemical, and Functional Characterization of the Cyclic Nucleotide Binding Homology Domain from the Mouse EAG1 Potassium Channel. J.Mol.Biol., 423, 2012
4NVS	Crystal Structure of the Q18CP6_CLOD6 protein from glyoxalase family. Northeast Structural Genomics Consortium Target CfR3 分子名称: Putative enzyme, glyoxalase family 著者 Vorobiev, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) 登録日 2013-12-05 公開日 2013-12-18 実験手法 X-RAY DIFFRACTION (2.385 Å) 主引用文献 Crystal Structure of the Q18CP6_CLOD6 protein from glyoxalase family. To be Published
4NX1	Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate 分子名称: C4-dicarboxylate transport system substrate-binding protein, alpha-D-talopyranuronic acid 著者 Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) 登録日 2013-12-08 公開日 2014-01-22 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
4F8T	Crystal Structure of the Human BTN3A3 Ectodomain 分子名称: Butyrophilin subfamily 3 member A3 著者 Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. 登録日 2012-05-17 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.382 Å) 主引用文献 The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012
4F9L	Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 著者 Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. 登録日 2012-05-18 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.1404 Å) 主引用文献 The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012
4F7C	Crystal structure of bovine CD1d with bound C12-di-sulfatide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CD1D antigen, ... 著者 Wang, J, Zajonc, D.M. 登録日 2012-05-15 公開日 2012-11-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.864 Å) 主引用文献 Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids. Plos One, 7, 2012
4FBA	Structure of mutant RIP from barley seeds in complex with adenine 分子名称: ADENINE, Protein synthesis inhibitor I 著者 Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K. 登録日 2012-05-22 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism. Acta Crystallogr.,Sect.D, 68, 2012
4O09	Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease 分子名称: 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha 著者 Zuccola, H.J, Ernst, J.T. 登録日 2013-12-13 公開日 2014-04-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014

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