4CE3
 
 | | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | | Descriptor: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Parry-Morris, S, Prodromou, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
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7QQJ
 | | Sucrose phosphorylase from Jeotgalibaca ciconiae | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sucrose phosphorylase | | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | | Deposit date: | 2022-01-08 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Sucrose phosphorylase from Jeotgalibaca ciconiae
To Be Published
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4CE1
 | | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | | Descriptor: | 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Parry-Morris, S, Prodromou, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
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4CE2
 | | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | | Descriptor: | (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Parry-Morris, S, Prodromou, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90.
Org. Biomol. Chem., 12, 2014
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5URA
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP7 | | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, brain, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85002172 Å) | | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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5UR9
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19800353 Å) | | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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4EGK
 | | Human Hsp90-alpha ATPase domain bound to Radicicol | | Descriptor: | Heat shock protein HSP 90-alpha, RADICICOL | | Authors: | Chen, W.J, Wood, S.P. | | Deposit date: | 2012-03-31 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors.
J Biomol Screen, 17, 2012
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1QY8
 | | Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with Radicicol | | Descriptor: | Endoplasmin, RADICICOL | | Authors: | Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T. | | Deposit date: | 2003-09-09 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation
J.Biol.Chem., 278, 2003
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2F1E
 | | Solution structure of ApaG protein | | Descriptor: | Protein apaG | | Authors: | Contessa, G, Pertinhez, T.A, Spisni, A, Paci, M, Farah, C.S, Cicero, D.O. | | Deposit date: | 2005-11-14 | | Release date: | 2006-10-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of ApaG from Xanthomonas axonopodis pv. citri reveals a fibronectin-3 fold.
Proteins, 67, 2007
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5K1N
 | | Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stura, E.A, Ciccone, L, Shepard, W. | | Deposit date: | 2016-05-18 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Human TTR conformation altered by rhenium tris-carbonyl derivatives.
J.Struct.Biol., 195, 2016
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5K1J
 | | Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Stura, E.A, Ciccone, L, Shepard, W. | | Deposit date: | 2016-05-18 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Human TTR conformation altered by rhenium tris-carbonyl derivatives.
J.Struct.Biol., 195, 2016
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5NNW
 | | NLPPya in complex with glucosamine | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, 25 kDa protein elicitor, MAGNESIUM ION | | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | | Deposit date: | 2017-04-10 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
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5NO9
 | | NLPPya in complex with mannosamine | | Descriptor: | 2-amino-2-deoxy-alpha-D-mannopyranose, 25 kDa protein elicitor, MAGNESIUM ION | | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | | Deposit date: | 2017-04-11 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
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8AF2
 | | Human Sterol Carrier Protein with unnatural amino acid 2,2'-bipyridine alanine incorporated at position 111 | | Descriptor: | COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ... | | Authors: | Richardson, J.M, Klemencic, E, Jarvis, A.G. | | Deposit date: | 2022-07-15 | | Release date: | 2023-08-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
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8AF3
 | | Sterol carrier protein Artifical metalloenzyme incorporating Q111C mutation coupled to 2,2'-bipyridine | | Descriptor: | COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ... | | Authors: | Richardson, J.M, Klemencic, E, Jarvis, A.G. | | Deposit date: | 2022-07-15 | | Release date: | 2023-08-16 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
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7NFW
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7NIZ
 | | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
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4PME
 | | Human transthyretin (TTR) complexed with ferulic acid and curcumin. | | Descriptor: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | | Authors: | Stura, E.A, Ciccone, L. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.264 Å) | | Cite: | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
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3MBK
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4PM1
 | | Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol | | Descriptor: | (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol, 1,2-ETHANEDIOL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
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4PMF
 | | Human transthyretin (TTR) complexed with curcumin | | Descriptor: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, SODIUM ION, ... | | Authors: | Stura, E.A, Ciccone, L. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
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4TQI
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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1TW6
 | | Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.713 Å) | | Cite: | Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP
Biochem.J., 385, 2005
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3KGA
 | | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor | | Descriptor: | 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | Authors: | Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C. | | Deposit date: | 2009-10-28 | | Release date: | 2010-01-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
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2IWU
 | | Analogues of radicicol bound to the ATP-binding site of Hsp90 | | Descriptor: | (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2006-07-04 | | Release date: | 2006-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
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