PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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8QXN	Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... 著者 Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. 登録日 2023-10-24 公開日 2024-05-15 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.98 Å) 主引用文献 Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
8QXK	Cryo-EM structure of tetrameric human SAMHD1 State I - Tense 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... 著者 Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. 登録日 2023-10-24 公開日 2024-05-15 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.66 Å) 主引用文献 Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
8QXO	Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... 著者 Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. 登録日 2023-10-24 公開日 2024-05-15 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.43 Å) 主引用文献 Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
5X0R	Crystal Structure of PXR LBD Complexed with SJB7 分子名称: 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 著者 Lv, L, Lin, W, Chai, S.C, Zhang, Q, Chen, T. 登録日 2017-01-23 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.665 Å) 主引用文献 SPA70 is a potent antagonist of human pregnane X receptor. Nat Commun, 8, 2017
1NYQ	Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with an analogue of threonyl adenylate 分子名称: 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, ZINC ION, threonyl-tRNA synthetase 1 著者 Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D. 登録日 2003-02-13 公開日 2003-10-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase J.Mol.Biol., 331, 2003
5VB5	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide 分子名称: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.226 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
6SXO	Cryo-EM structure of the human Ebp1-ribosome complex 分子名称: 28S ribosomal RNA including ES27L-B (2839-3265), 5.8S ribosomal RNA, 60S ribosomal protein L19, ... 著者 Wild, K, Aleksic, M, Pfeffer, M, Sinning, I. 登録日 2019-09-26 公開日 2020-02-19 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 MetAP-like Ebp1 occupies the human ribosomal tunnel exit and recruits flexible rRNA expansion segments. Nat Commun, 11, 2020
2WPH	factor IXa superactive triple mutant 分子名称: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ... 著者 Zogg, T, Brandstetter, H. 登録日 2009-08-06 公開日 2009-12-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa Structure, 17, 2009
2OR3	Pre-oxidation Complex of Human DJ-1 分子名称: Protein DJ-1, SULFATE ION 著者 Witt, A.C, Lakshminarasimhan, M, Wilson, M.A. 登録日 2007-02-01 公開日 2007-02-13 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Cysteine pKa depression by a protonated glutamic acid in human DJ-1. Biochemistry, 47, 2008
1MXO	AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION 著者 Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. 登録日 2002-10-02 公開日 2003-03-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
1MY8	AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase 著者 Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. 登録日 2002-10-03 公開日 2003-03-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
1N33	Structure of the Thermus thermophilus 30S ribosomal subunit bound to codon and near-cognate transfer rna anticodon stem-loop mismatched at the second codon position at the a site with paromomycin 分子名称: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... 著者 Ogle, J.M, Murphy IV, F.V, Tarry, M.J, Ramakrishnan, V. 登録日 2002-10-25 公開日 2002-11-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Selection of tRNA by the Ribosome Requires a Transition from an Open to a Closed Form Cell(Cambridge,Mass.), 111, 2002
5WR1	Covalent bond formation of bifunctional ligand with hPPARg-LBD 分子名称: 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Kojima, H, Itoh, T, Yamamoto, K. 登録日 2016-11-29 公開日 2017-11-22 最終更新日 2017-12-13 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
6SJM	Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) 分子名称: 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-08-13 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. Acs Med.Chem.Lett., 10, 2019
5YXL	A ligand M binding to FXR 分子名称: 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 著者 Yi, L, Yong, L. 登録日 2017-12-05 公開日 2019-03-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 A ligand M binding to FXR To Be Published
6SO2	Fragment N13460a in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-28 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1N36	Structure of the Thermus thermophilus 30S ribosomal subunit in the presence of crystallographically disordered codon and near-cognate transfer RNA anticodon stem-loop mismatched at the second codon position 分子名称: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... 著者 Ogle, J.M, Murphy IV, F.V, Tarry, M.J, Ramakrishnan, V. 登録日 2002-10-25 公開日 2002-11-29 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 Selection of tRNA by the Ribosome Requires a Transition from an Open to a Closed Form Cell(Cambridge,Mass.), 111, 2002
6SPL	Fragment KCL615 in complex with MAP kinase p38-alpha 分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-09-01 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5ZA1	Ligand complex of RORgt LBD 分子名称: 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... 著者 Yamamoto, S, Yamaguchi, H. 登録日 2018-02-06 公開日 2018-10-31 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003. Bioorg. Med. Chem. Lett., 28, 2018
5TOA	Crystal Structure of ER beta bound to Estradiol 分子名称: ESTRADIOL, Estrogen receptor beta 著者 Textor, L, Nascimento, A.S, Polikarpov, I. 登録日 2016-10-17 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position. Sci Rep, 7, 2017
2YJR	Structure of F1174L Mutant Anaplastic Lymphoma Kinase 分子名称: ALK TYROSINE KINASE RECEPTOR 著者 McTigue, M, Deng, Y, Liu, W, Brooun, A. 登録日 2011-05-23 公開日 2012-06-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of F1174L Mutant Anaplastic Lymphoma Kinase To be Published
5YXB	A ligand binding to FXR 分子名称: 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 著者 Yi, L, Yong, L. 登録日 2017-12-04 公開日 2019-03-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 A ligand binding to FXR To Be Published
1MMS	Crystal structure of the ribosomal PROTEIN L11-RNA complex 分子名称: 23S RIBOSOMAL RNA, CADMIUM ION, MAGNESIUM ION, ... 著者 Wimberly, B.T, Guymon, R, Mccutcheon, J.P, White, S.W, Ramakrishnan, V. 登録日 1999-04-14 公開日 2000-04-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 A detailed view of a ribosomal active site: the structure of the L11-RNA complex. Cell(Cambridge,Mass.), 97, 1999
5Z5S	Crystal structure of the PPARgamma-LBD complexed with compound 13ab 分子名称: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... 著者 Matsui, Y, Hanzawa, H. 登録日 2018-01-19 公開日 2018-10-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
1M3W	Crystal Structure of a Molecular Maquette Scaffold 分子名称: H10H24, MERCURY (II) ION 著者 Huang, S.S, Gibney, B.R, Stayrook, S.E, Dutton, P.L, Lewis, M. 登録日 2002-07-01 公開日 2003-02-18 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 X-ray Structure of a Maquette Scaffold J.Mol.Biol., 326, 2003

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