4EH9
 
 | | Human p38 MAP kinase in complex with NP-F11 and RL87 | | 分子名称: | (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | 登録日 | 2012-04-02 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EOJ
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | 登録日 | 2012-04-14 | | 公開日 | 2013-02-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4JNJ
 | | Structure based engineering of streptavidin monomer with a reduced biotin dissociation rate | | 分子名称: | BIOTIN, Streptavidin/Rhizavidin Hybrid, ZINC ION | | 著者 | DeMonte, D, Drake, E.J, Hong Lim, K, Gulick, A.M, Park, S. | | 登録日 | 2013-03-15 | | 公開日 | 2013-05-29 | | 最終更新日 | 2013-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Structure-based engineering of streptavidin monomer with a reduced biotin dissociation rate.
Proteins, 81, 2013
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4EPP
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4CPE
 | | Wild-type streptavidin in complex with love-hate ligand 1 (LH1) | | 分子名称: | (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide, STREPTAVIDIN | | 著者 | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | | 登録日 | 2014-02-06 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
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4D7M
 | | TetR(D) in complex with anhydrotetracycline and magnesium | | 分子名称: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Werten, S, Dalm, D, Palm, G.J, Hinrichs, W. | | 登録日 | 2014-11-25 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
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4D1B
 | | STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH BENZYL-HYDANTOIN | | 分子名称: | (5S)-5-benzylimidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | | 著者 | Brueckner, F, Geng, T, Weyand, S, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | | 登録日 | 2014-05-01 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Embo J., 33, 2014
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4D56
 | | Understanding bi-specificity of A-domains | | 分子名称: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-11-03 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4JEH
 | | Crystal Structure of Munc18a and Syntaxin1 lacking N-peptide complex | | 分子名称: | Syntaxin-1A, Syntaxin-binding protein 1 | | 著者 | Colbert, K.N, Hattendorf, D.A, Weiss, T.M, Burkhardt, P, Fasshauer, D, Weis, W.I. | | 登録日 | 2013-02-27 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Syntaxin1a variants lacking an N-peptide or bearing the LE mutation bind to Munc18a in a closed conformation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4D6U
 | | Cytochrome bc1 bound to the 4(1H)-pyridone GSK932121 | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | | 著者 | Capper, M.J, ONeill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V. | | 登録日 | 2014-11-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.09 Å) | | 主引用文献 | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4JFC
 | | Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666 | | 分子名称: | Enoyl-CoA hydratase, GLYCEROL | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-02-28 | | 公開日 | 2013-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666
To be Published
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4CWP
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-03 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D49
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | 分子名称: | ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE | | 著者 | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | 登録日 | 2014-10-27 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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4D4E
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | 分子名称: | ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL | | 著者 | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | 登録日 | 2014-10-28 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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4CP6
 | | The Crystal structure of Pneumococcal vaccine antigen PcpA | | 分子名称: | CHOLINE BINDING PROTEIN PCPA | | 著者 | Vallee, F, Steier, V, Oloo, E, Chawla, D, Vonrhein, C, Steinmetz, A, Mathieu, M, Rak, A, Mikol, V, Oomen, R. | | 登録日 | 2014-01-31 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | The Crystal Structure of Pneumoccocal Vaccine Antigen Pcpa
To be Published
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4D7B
 | | Structure of human transthyretin in complex with Tolcapone | | 分子名称: | TRANSTHYRETIN, Tolcapone | | 著者 | Gallego, P, Sant'anna, R.O, Ventura, S, Reverter, D. | | 登録日 | 2014-11-21 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity
Nat.Commun., 7, 2016
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4CWS
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-03 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4FWT
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4CWR
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-03 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4CWF
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-02 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4CWT
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-03 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4G48
 | | Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol | | 分子名称: | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | 登録日 | 2012-07-16 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4CWQ
 | | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | | 分子名称: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | | 登録日 | 2014-04-03 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4G61
 | | Crystal structure of IMPase/NADP phosphatase complexed with Mg2+ and phosphate | | 分子名称: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | | 著者 | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | 登録日 | 2012-07-18 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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4GF9
 | | Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid | | 分子名称: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ... | | 著者 | Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2012-08-03 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
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