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

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1B7E	TRANSPOSASE INHIBITOR 分子名称: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5) 著者 Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I. 登録日 1999-01-22 公開日 1999-04-21 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution. J.Biol.Chem., 274, 1999
6TLQ	ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark 分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ... 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-12-03 公開日 2020-12-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.761 Å) 主引用文献 Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
6JF0	Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization 分子名称: 7-methoxychromen-2-one, Peroxisome proliferator-activated receptor gamma, methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate 著者 Kojima, H, Yamamoto, K, Itoh, T. 登録日 2019-02-07 公開日 2020-02-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
6JQ7	The ligand-free structure of human PPARgamma LBD in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Jang, J.Y, Han, B.W. 登録日 2019-03-29 公開日 2019-10-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
3R4P	Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide 分子名称: 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION 著者 Gajiwala, K.S. 登録日 2011-03-17 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
6T4G	ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26 分子名称: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ... 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-10-14 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
1BD8	STRUCTURE OF CDK INHIBITOR P19INK4D 分子名称: P19INK4D CDK4/6 INHIBITOR 著者 Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. 登録日 1998-05-12 公開日 1998-10-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a. Structure, 6, 1998
3RDR	Structure of the catalytic domain of XlyA 分子名称: CHLORIDE ION, N-acetylmuramoyl-L-alanine amidase XlyA, ZINC ION 著者 Low, L.Y, Liddington, R.C. 登録日 2011-04-01 公開日 2011-08-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins. J.Biol.Chem., 286, 2011
1B8A	ASPARTYL-TRNA SYNTHETASE 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PROTEIN (ASPARTYL-TRNA SYNTHETASE) 著者 Schmitt, E, Moulinier, L, Thierry, J.-C, Moras, D. 登録日 1999-01-27 公開日 1999-02-02 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation. EMBO J., 17, 1998
6N89	Cryo-EM structure of the Importin beta:Histone H1.0 complex 分子名称: Histone H1.0, Importin subunit beta-1 著者 Bilokapic, S, Ivic, N, Halic, M. 登録日 2018-11-28 公開日 2019-02-27 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (7.5 Å) 主引用文献 Fuzzy Interactions Form and Shape the Histone Transport Complex. Mol. Cell, 73, 2019
3PLQ	Crystal structure of PKA type I regulatory subunit bound with Rp-8-Br-cAMPS 分子名称: (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide, ZINC ION, cAMP-dependent protein kinase type I-alpha regulatory subunit 著者 Swaminathan, K. 登録日 2010-11-15 公開日 2010-12-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Cyclic AMP analog blocks kinase activation by stabilizing inactive conformation: Conformational selection highlights a new concept in allosteric inhibitor design To be Published
3R4M	Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide 分子名称: 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha 著者 Almassy, R.J. 登録日 2011-03-17 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
1TL3	Crystal structure of hiv-1 reverse transcriptase in complex with gw450557 分子名称: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... 著者 Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. 登録日 2004-06-09 公開日 2004-12-07 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
2HBN	Crystallization of the Tl+-form of the Oxytricha nova G-quadruplex 分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', THALLIUM (I) ION 著者 Gill, M.L, Strobel, S.A, Loria, J.P. 登録日 2006-06-14 公開日 2006-09-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallization and characterization of the thallium form of the Oxytricha nova G-quadruplex. Nucleic Acids Res., 34, 2006
3Q5W	Structure of proteasome tether 分子名称: Protein cut8 著者 Schumacher, M.A. 登録日 2010-12-30 公開日 2011-10-19 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structure of Proteasome Tether To be Published
3QQ5	Crystal structure of the [FeFe]-hydrogenase maturation protein HydF 分子名称: Small GTP-binding protein 著者 Cendron, L, Berto, P, D'Adamo, S, Vallese, F, Govoni, C, Posewitz, M.C, Giacometti, G.M, Costantini, P, Zanotti, G. 登録日 2011-02-15 公開日 2011-11-16 最終更新日 2012-01-11 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Crystal Structure of HydF Scaffold Protein Provides Insights into [FeFe]-Hydrogenase Maturation. J.Biol.Chem., 286, 2011
3RAS	Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor 分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... 著者 Diao, J, Deng, L, Prasad, B.V.V, Song, Y. 登録日 2011-03-28 公開日 2011-05-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. J.Med.Chem., 54, 2011
3RLR	Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 分子名称: 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION 著者 Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. 登録日 2011-04-20 公開日 2011-06-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone. Bioorg.Med.Chem.Lett., 21, 2011
3RMY	Crystal structure of HCR/D W1238A mutant 分子名称: Botulinum neurotoxin type D, GLYCEROL 著者 Fu, Z, Karalewitz, A, Kroken, A, Kim, J.-J.P, Barbieri, J.T. 登録日 2011-04-21 公開日 2011-06-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Novel Ganglioside-mediated Entry of Botulinum Neurotoxin Serotype D into Neurons. J.Biol.Chem., 286, 2011
1U09	Footand Mouth Disease Virus RNA-dependent RNA polymerase 分子名称: polyprotein 著者 Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N. 登録日 2004-07-13 公開日 2004-08-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structure of Foot-and-Mouth Disease Virus RNA-dependent RNA Polymerase and Its Complex with a Template-Primer RNA J.Biol.Chem., 279, 2004
3OLR	PTPN22 in complex with consensus phospho-tyrosine peptide 1 分子名称: SKAP2, Tyrosine-protein phosphatase non-receptor type 22 著者 Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y. 登録日 2010-08-26 公開日 2011-06-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure basis of LYP substrate specificity revealed by reverse alanine screening and crystallography To be Published
3OMH	Crystal structure of PTPN22 in complex with SKAP-HOM pTyr75 peptide 分子名称: Src kinase-associated phosphoprotein 2, Tyrosine-protein phosphatase non-receptor type 22 著者 Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y. 登録日 2010-08-26 公開日 2011-06-29 最終更新日 2011-09-14 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Substrate Specificity of Lymphoid-specific Tyrosine Phosphatase (Lyp) and Identification of Src Kinase-associated Protein of 55 kDa Homolog (SKAP-HOM) as a Lyp Substrate. J.Biol.Chem., 286, 2011
1TKT	CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 分子名称: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. 登録日 2004-06-09 公開日 2004-12-07 最終更新日 2018-01-31 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
3QS0	Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with a bound N-acetylglucosamine in the diffusion channel at 2.5 A resolution 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, L(+)-TARTARIC ACID, ... 著者 Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. 登録日 2011-02-19 公開日 2011-03-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with a bound N-acetylglucosamine in the diffusion channel AT 2.5 A resolution To be Published
3QD6	Crystal structure of the CD40 and CD154 (CD40L) complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand, Tumor necrosis factor receptor superfamily member 5 著者 Lee, J.-O, Kim, Y.J, Song, D.H, Kim, H.M, Park, B.S. 登録日 2011-01-18 公開日 2011-02-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Crystallographic and mutational analysis of the CD40-CD154 complex and its implications for receptor activation J.Biol.Chem., 286, 2011

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