PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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7TGS	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt 分子名称: (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7TH7	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B23 分子名称: 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-10 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7TGU	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7THC	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B25 分子名称: 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-10 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7THD	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B52 分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, [(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid 著者 Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-10 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7TGT	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
7JRA	HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol 分子名称: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor 著者 Sheriff, S. 登録日 2020-08-11 公開日 2020-12-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches. J.Med.Chem., 63, 2020
7TH6	Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21 分子名称: 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial 著者 Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. 登録日 2022-01-10 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
2MX0	Solution structure of HP0268 from Helicobacter pylori 分子名称: Uncharacterized protein HP_0268 著者 Lee, K.Y. 登録日 2014-12-05 公開日 2015-12-09 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structure-based functional identification of Helicobacter pylori HP0268 as a nuclease with both DNA nicking and RNase activities Nucleic Acids Res., 43, 2015
4D9Z	Lysozyme at 318K 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 Sharma, P, Ashish 登録日 2012-01-12 公開日 2013-01-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.709 Å) 主引用文献 Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation Sci Rep, 6, 2016
1YOK	crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol 分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2 著者 Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A. 登録日 2005-01-27 公開日 2005-07-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1. Cell(Cambridge,Mass.), 120, 2005
6G68	Crystal structure of a parallel six-helix coiled coil CC-Type2-IL-Sg 分子名称: CC-Type2-IL-Sg, SULFATE ION 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2018-04-01 公開日 2018-10-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
6G6H	Crystal structure of an antiparallel five-helix coiled coil 5H2L_2.1-I9L 分子名称: 5H2L_2.1-I9L 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2018-04-01 公開日 2018-10-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
6FMD	Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold 分子名称: 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... 著者 Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R. 登録日 2018-01-30 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J. Med. Chem., 61, 2018
1YQQ	Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene 分子名称: GUANINE, PHOSPHATE ION, Xanthosine phosphorylase 著者 Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. 登録日 2005-02-02 公開日 2005-04-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Escherichia coli Purine Nucleoside Phosphorylase II, the Product of the xapA Gene J.Mol.Biol., 348, 2005
5J9G	Structure of Lactobacillus acidophilus glyceraldehyde-3-phosphate dehydrogenase at 2.21 angstrom resolution 分子名称: Glyceraldehyde-3-p dehydrogenase 著者 Patel, D, Pappachan, A, Singh, D.D. 登録日 2016-04-10 公開日 2017-04-19 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structure of Lactobacillus acidophilus glyceraldehyde-3-phosphate dehydrogenase at 2.21 angstrom resolution. To Be Published
7TI4	Adeno-associated Virus Go.1 at 2.9 Angstroms resolution, AAVGo.1 AAV-Go 分子名称: Capsid protein 著者 Silveria, M, Large, E. 登録日 2022-01-12 公開日 2022-11-23 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.93 Å) 主引用文献 Cross-Species Permissivity: Structure of a Goat Adeno-Associated Virus and Its Complex with the Human Receptor AAVR. J.Virol., 96, 2022
7TI5	Adeno-associated virus Go.1 in Complex With Its Cellular Receptor AAVR at 2.4 Angstroms Resolution, AAVGo.1 AAVR 分子名称: Capsid protein, Dyslexia-associated protein KIAA0319-like protein 著者 Silveria, M, Large, E. 登録日 2022-01-12 公開日 2022-11-23 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.4 Å) 主引用文献 Cross-Species Permissivity: Structure of a Goat Adeno-Associated Virus and Its Complex with the Human Receptor AAVR. J.Virol., 96, 2022
6G66	Crystal structure of a parallel seven-helix coiled coil CC-Type2-IV 分子名称: CC-Type2-IV, GLYCEROL 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2018-04-01 公開日 2018-10-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
6G6B	Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17Q 分子名称: CC-Type2-LL-L17Q 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2018-04-01 公開日 2018-10-17 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
6G6F	Crystal structure of a parallel eight-helix coiled coil CC-Type2-LF 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-LF 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2018-04-01 公開日 2018-10-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
5JAD	Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Day, P.J, Woolford, A.J.-A. 登録日 2016-04-12 公開日 2016-05-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016
4EN4	Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Safo, M.K, Musayev, F.N, Gandhi, A.K. 登録日 2012-04-12 公開日 2012-05-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition. Plos One, 7, 2012
6FKT	Crystal structure of a dye-decolorizing peroxidase R232A variant from Klebsiella pneumoniae (KpDyP) 分子名称: Iron-dependent peroxidase, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE 著者 Pfanzagl, V, Hofbauer, S, Mlynek, G. 登録日 2018-01-24 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.86002779 Å) 主引用文献 Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
4E7F	E. cloacae C115D MurA in complex with UDP 分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... 著者 Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E. 登録日 2012-03-16 公開日 2013-03-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Open-close transition of MurA To be Published

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