PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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6TPN	Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution 分子名称: 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... 著者 Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. 登録日 2019-12-13 公開日 2020-01-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.608 Å) 主引用文献 Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
6TNR	PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide 著者 Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. 登録日 2019-12-10 公開日 2020-01-01 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
6EMH	Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor 分子名称: 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... 著者 Macedo, J.T, Stehle, T, Blaum, B.S. 登録日 2017-10-02 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
6TOK	Crystal structure of human BCL6 BTB domain in complex with compound 23d 分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
8K7H	Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol 分子名称: (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. 登録日 2023-07-26 公開日 2024-04-10 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
6AA5	Crystal structure of MTH1 in complex with 3-isomangostin 分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... 著者 Yokoyama, T, Kitakami, R, Mizuguchi, M. 登録日 2018-07-17 公開日 2019-03-06 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
8K7K	Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol 分子名称: (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. 登録日 2023-07-26 公開日 2024-04-10 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
2XO0	xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening 分子名称: 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... 著者 Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. 登録日 2010-08-09 公開日 2011-04-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
3CWW	Crystal Structure of IDE-bradykinin complex 分子名称: 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ... 著者 Malito, E, Tang, W.J. 登録日 2008-04-23 公開日 2008-11-25 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme Biochemistry, 47, 2008
2RE9	Crystal structure of TL1A at 2.1 A 分子名称: GLYCEROL, MAGNESIUM ION, TNF superfamily ligand TL1A 著者 Jin, T.C, Guo, F, Kim, S, Howard, A.J, Zhang, Y.Z. 登録日 2007-09-25 公開日 2007-10-09 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-ray crystal structure of TNF ligand family member TL1A at 2.1 A. Biochem.Biophys.Res.Commun., 364, 2007
6EZH	Torpedo californica AChE in complex with indolic multi-target directed ligand 分子名称: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase 著者 Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. 登録日 2017-11-15 公開日 2018-11-21 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase. Eur J Med Chem, 162, 2018
6AB2	Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oClZLys 分子名称: (2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Yanagisawa, T, Kuratani, M, Yokoyama, S. 登録日 2018-07-19 公開日 2019-04-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase. Cell Chem Biol, 26, 2019
6TOI	Crystal structure of human BCL6 BTB domain in complex with compound 11f 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
6TOO	Crystal structure of human BCL6 BTB domain in complex with compound 11a 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
6AC2	Crystal Structure of HEWL at pH 2.2 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Seyedarabi, A, Seraj, Z. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies. Sci Rep, 9, 2019
6TON	Crystal structure of human BCL6 BTB domain in complex with compound 25b 分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
4ZWZ	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
4ZXX	FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide 分子名称: CALCIUM ION, Coagulation factor VIIa heavy chain, Coagulation factor VIIa light chain, ... 著者 Wei, A. 登録日 2015-05-20 公開日 2015-07-22 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors. J.Med.Chem., 58, 2015
6TPQ	RNase M5 bound to 50S ribosome with precursor 5S rRNA 分子名称: 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ... 著者 Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C. 登録日 2019-12-13 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.07 Å) 主引用文献 Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs. Mol.Cell, 80, 2020
6HV4	Yeast 20S proteasome with human beta2i (1-53) in complex with ONX 0914 分子名称: (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Huber, E.M, Groll, M. 登録日 2018-10-10 公開日 2019-01-30 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
6ABN	Crystal Structure of HEWL at pH 8.6 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Seyedarabi, A, Seraj, Z. 登録日 2018-07-22 公開日 2019-07-24 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL. Plos One, 15, 2020
5XJC	Cryo-EM structure of the human spliceosome just prior to exon ligation at 3.6 angstrom 分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Zhang, X, Yan, C, Hang, J, Finci, I.L, Lei, J, Shi, Y. 登録日 2017-04-30 公開日 2017-07-05 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 An Atomic Structure of the Human Spliceosome Cell, 169, 2017
3LQ6	Crystal Structure of Murine Norovirus Protruding (P) Domain 分子名称: Capsid protein 著者 Rubin, J.R, Stuckey, J.A. 登録日 2010-02-08 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 High-resolution x-ray structure and functional analysis of the murine norovirus 1 capsid protein protruding domain. J.Virol., 84, 2010
6TTH	PKM2 in complex with L-threonine 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE 著者 Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. 登録日 2019-12-27 公開日 2020-01-15 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
9FC5	HEN EGG-WHITE Lysozyme incubated at 99% relative humidity 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... 著者 Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A. 登録日 2024-05-15 公開日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Exploring the conformational space of proteins by systematic variation of the relative humidity To Be Published

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