2BYH |
1.9 |
3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone |
2CCT |
2.3 |
HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE |
2YE7 |
2.2 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4YKX |
1.8 |
Heat Shock Protein 90 Bound to CS318 |
2QF6 |
3.1 |
HSP90 complexed with A56322 |
6GQR |
2.05 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPCPP |
4LWI |
1.7 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 |
4CWN |
1.8 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
2FWY |
2.1 |
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64 |
6U9A |
1.65 |
Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5 |
3RLQ |
1.9 |
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile |
6GP8 |
1.75 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex AMPCPP |
6F1N |
2.09 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
6FCJ |
2.49 |
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations |
4L90 |
2.001 |
Crystal structure of Human Hsp90 with RL3 |
3R4O |
2.65 |
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 |
6GPH |
1.56 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with AMPCP |
6FDP |
|
NMR structure of the second TPR domain of the human RPAP3 protein in complex with HSP90 peptide DTSRMEEVD |
4O0B |
1.93 |
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease |
2QG2 |
1.8 |
HSP90 complexed with A917985 |
5LO0 |
2.3 |
HSP90 WITH indazole derivative |
5XRE |
1.497 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1 |
3QTF |
1.5703 |
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity |
4O04 |
1.82 |
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease |
2CCU |
2.7 |
HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL |
4CWF |
2.0 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
2YJW |
1.61 |
Tricyclic series of Hsp90 inhibitors |
2XDS |
1.97 |
Structure of HSP90 with small molecule inhibitor bound |
4CWS |
2.3 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
6GR3 |
1.88 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPPNP |
4JQL |
1.72 |
Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid |
3QDD |
1.79 |
HSP90A N-terminal domain in complex with BIIB021 |
1UY6 |
1.9 |
Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine |
2YEC |
2.1 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4EGK |
1.69 |
Human Hsp90-alpha ATPase domain bound to Radicicol |
8AGL |
2.2 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31 |
6CYH |
1.49 |
Hsp90-alpha N-domain bound to NEACA |
2XJG |
2.25 |
Structure of HSP90 with small molecule inhibitor bound |
5J6N |
1.9 |
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide |
4W7T |
1.8 |
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 |
3R4P |
1.7 |
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 |
1UYK |
2.2 |
Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine |
7LT0 |
1.697 |
Hsp90a N-terminal inhibitor |
5LR7 |
1.86 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 |
6GR4 |
1.5 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R |
2QFO |
1.68 |
HSP90 complexed with A143571 and A516383 |
2XJJ |
1.9 |
Structure of HSP90 with small molecule inhibitor bound |
5FND |
2.0 |
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design |
5M4H |
2.0 |
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase |
4YKT |
1.85 |
Heat Shock Protein 90 Bound to CS307 |
4EFU |
2.0 |
Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide |
2YE5 |
1.73 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4L8Z |
1.703 |
Crystal structure of Human Hsp90 with RL1 |
2WI6 |
2.18 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
3B26 |
2.1 |
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850 |
4YKR |
1.61 |
Heat Shock Protein 90 Bound to CS302 |
1OSF |
1.75 |
Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin |
7L7J |
3.1 |
Cryo-EM structure of Hsp90:p23 closed-state complex |
2YI0 |
1.6 |
Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. |
2XJX |
1.66 |
Structure of HSP90 with small molecule inhibitor bound |
3FT8 |
2.0 |
Structure of HSP90 bound with a noval fragment. |
2YEA |
1.73 |
HSP90 inhibitors and drugs from fragment and virtual screening |
5LO6 |
2.4 |
HSP90 WITH indazole derivative |
6B99 |
1.60238 |
Hsp90-alpha N-domain bound to NECA |
3RLR |
1.7 |
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 |
3HZ1 |
2.3 |
Crystal structure of Hsp90 with fragments 37-D04 and 42-C03 |
8AGJ |
2.32 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31 |
5J8M |
1.9 |
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
4YKU |
1.7 |
Heat Shock Protein 90 Bound to CS311 |
5ZR3 |
2.5 |
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide |
2WI5 |
2.1 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
7S99 |
1.52 |
Room-temperature Human Hsp90a-NTD bound to N6M |
6U98 |
1.5 |
Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6 |
5OD7 |
2.0 |
Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time |
4EGI |
1.79 |
Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine |
5NYI |
1.44 |
Crystal Structure of Hsp90-alpha N-Domain in complex with Resorcinol derivative |
3K98 |
2.4 |
HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide |
2XDX |
2.42 |
Structure of HSP90 with small molecule inhibitor bound |
3INX |
1.75 |
HSP90 N-TERMINAL DOMAIN with pochoxime B |
2YEG |
2.5 |
HSP90 inhibitors and drugs from fragment and virtual screening |
7L7I |
3.3 |
Cryo-EM structure of Hsp90:FKBP51:p23 closed-state complex |
1YET |
1.9 |
GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN-BINDING DOMAIN |
6HHR |
2.0 |
Hsp90 in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione |
2XDL |
1.98 |
Structure of HSP90 with small molecule inhibitor bound |
5LQ9 |
1.9 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323. |
6GPY |
2.25 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPPNP |
6GPP |
1.51 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with ADP |
2YJX |
1.83 |
Tricyclic series of Hsp90 inhibitors |
5J8U |
1.75 |
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
1UYL |
1.4 |
Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms |
2YK9 |
1.32 |
Tricyclic series of Hsp90 inhibitors |
4AWQ |
1.6 |
Complex of HSP90 ATPase domain with tropane derived inhibitors |
5J6M |
1.64 |
Crystal Structure of Hsp90-alpha N-domain L107 mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide |
4EFT |
2.12 |
Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile |
4YKZ |
1.85 |
Heat Shock Protein 90 Bound to CS320 |
3EKR |
2.0 |
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone |
5J2V |
1.59 |
Crystal Structure of Hsp90-alpha Apo N-domain |
2WI1 |
2.3 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
2YKB |
1.93 |
Tricyclic series of Hsp90 inhibitors |
7RY1 |
3.523 |
human Hsp90_MC domain structure |
4AIF |
2.006 |
AIP TPR domain in complex with human Hsp90 peptide |
4BQG |
1.9 |
structure of HSP90 with an inhibitor bound |
6CYG |
1.50392 |
Hsp90-alpha N-domain bound to NEOCA |
1YC4 |
1.81 |
Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles |
1UYD |
2.2 |
Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine |
5LS1 |
1.85 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475 |
4AWO |
1.7 |
Complex of HSP90 ATPase domain with tropane derived inhibitors |
2WI2 |
2.09 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
4O05 |
1.79 |
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease |
6GP4 |
1.7 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A |
3R4N |
2.0 |
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 |
4YKY |
1.78 |
Heat Shock Protein 90 Bound to CS319 |
2YI5 |
2.5 |
Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. |
4NH8 |
1.65 |
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity |
6GQU |
1.72 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with cAMP |
1UYG |
2.0 |
Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine |
2YK2 |
1.74 |
Tricyclic series of Hsp90 inhibitors |
7S9G |
1.79 |
Room-temperature Human Hsp90a-NTD bound to BIIB021 |
2XK2 |
1.95 |
Structure of HSP90 with small molecule inhibitor bound |
4L91 |
1.75 |
Crystal structure of Human Hsp90 with X29 |
3T0H |
1.2 |
Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90 |
4FCQ |
2.151 |
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization |
5LRZ |
2.0 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501 |
3MNR |
1.9 |
Crystal Structure of Benzamide SNX-1321 bound to Hsp90 |
5VYY |
1.792 |
Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm |
4XIR |
1.7 |
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors |
8AGI |
2.1 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31 |
6N8X |
1.49484 |
Hsp90-alpha bound to PU-11-trans |
2WI7 |
2.5 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
3WHA |
1.3 |
Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor |
4L94 |
1.649 |
Crystal structure of Human Hsp90 with S46 |
3O0I |
1.47 |
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54 |
3B28 |
1.35 |
Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765 |
4AWP |
1.82 |
Complex of HSP90 ATPase domain with tropane derived inhibitors |
2YE2 |
1.9 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4BQJ |
2.0 |
structure of HSP90 with an inhibitor bound |
4LWH |
1.7 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 |
3HZ5 |
1.9 |
Crystal structure of Hsp90 with fragment Z064 |
3FT5 |
1.9 |
Structure of HSP90 bound with a novel fragment |
3BMY |
1.6 |
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 |
3K97 |
1.95 |
HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol |
3B24 |
1.7 |
Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule |
4CWO |
2.31 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
3R92 |
1.5801 |
Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. |
3EKO |
1.55 |
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone |
5J2X |
1.22 |
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
7RXZ |
3.152 |
human Hsp90_MC domain structure |
5J20 |
1.76 |
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide |
6LSZ |
1.992 |
HSP 90 in complex with Ganetespib |
3OWB |
2.05 |
Crystal Structure of HSP90 with VER-49009 |
5J27 |
1.7 |
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide |
2XDK |
1.97 |
Structure of HSP90 with small molecule inhibitor bound |
5J82 |
2.17 |
Crystal Structure of Hsp90-alpha N-domain in complex 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-isopropyl-N-methyl-benzenesulfonamide |
5LRL |
1.33 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875 |
4CGW |
3.001 |
Second TPR of Spaghetti (RPAP3) bound to HSP90 peptide SRMEEVD |
6EL5 |
1.67 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
5XRD |
1.3 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7 |
5XQD |
1.6 |
Crystal structure of Human Hsp90 with FS2 |
4CWQ |
2.0 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
6GQS |
1.43 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPCP |
5LO5 |
1.44 |
HSP90 WITH indole derivative |
3B27 |
1.5 |
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127 |
5J6L |
1.75 |
Crystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide |
1UYC |
2.0 |
Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine |
2YI7 |
1.4 |
Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. |
6GR1 |
2.05 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPCPP |
3INW |
1.95 |
HSP90 N-TERMINAL DOMAIN with pochoxime A |
4CGQ |
2.0 |
Full length Tah1 bound to HSP90 peptide SRMEEVD |
1UY8 |
1.98 |
Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine |
6ELP |
1.85 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
5J64 |
1.38 |
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
2VCI |
2.0 |
4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer |
4YKW |
1.85 |
Heat Shock Protein 90 Bound to CS312 |
4FCR |
1.698 |
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization |
3R91 |
1.579 |
Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. |
2BUG |
|
Solution structure of the TPR domain from Protein phosphatase 5 in complex with Hsp90 derived peptide |
1YES |
2.2 |
HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, OPEN CONFORMATION |
7S9H |
1.45 |
Cryogenic Human Hsp90a-NTD bound to EC144 |
1UYE |
2.0 |
Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine |
6LT8 |
1.593 |
HSP90 in complex with KW-2478 |
5M4E |
1.9 |
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase |
3VHD |
1.52 |
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 |
2YED |
2.1 |
HSP90 inhibitors and drugs from fragment and virtual screening |
2H55 |
2.0 |
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-DZ8 |
4U93 |
1.55 |
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 |
6GR5 |
1.34 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with ADP |
3R4M |
1.7 |
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 |
2QG0 |
1.85 |
HSP90 complexed with A943037 |
1YC3 |
2.12 |
Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles |
3BM9 |
1.6 |
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 |
2JJC |
1.95 |
Hsp90 alpha ATPase domain with bound small molecule fragment |
1UY7 |
1.9 |
Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine |
3OW6 |
1.8 |
Crystal Structure of HSP90 with N-Aryl-benzimidazolone I |
3B25 |
1.75 |
Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194 |
2UWD |
1.9 |
Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs |
2WI4 |
2.4 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
3RLP |
1.7 |
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine |
2YE8 |
2.3 |
HSP90 inhibitors and drugs from fragment and virtual screening |
6LTI |
1.588 |
HSP90 in complex with NVP-AUY922 |
4L93 |
1.845 |
Crystal structure of Human Hsp90 with S36 |
2BSM |
2.05 |
Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design |
3WQ9 |
1.8 |
Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide |
5CF0 |
1.8 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 |
7DMC |
2.34 |
Dipyridamole binds to the N-terminal domain of human Hsp90A |
3HYZ |
2.3 |
Crystal structure of Hsp90 with fragment 42-C03 |
2YEE |
2.3 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4CWP |
1.95 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
4O09 |
1.96 |
Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease |
6GPF |
1.55 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with AMPPNP |
5LNZ |
1.54 |
HSP90 WITH indazole derivative |
6EYB |
1.9 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
4EGH |
1.6 |
Hsp90-alpha ATPase domain in complex with (4-Hydroxyphenyl)morpholin-4-yl methanone |
3T0Z |
2.192 |
Hsp90 N-terminal domain bound to ATP |
7S9I |
1.75 |
Room-temperature Human Hsp90a-NTD bound to EC144 |
6KSQ |
2.202 |
Middle Domain of Human HSP90 Alpha |
5OCI |
1.62 |
Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide |
6U99 |
1.6 |
Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58 |
4YKQ |
1.91 |
Heat Shock Protein 90 Bound to CS301 |
3T2S |
1.501 |
HSP90 N-terminal domain bound to AGS |
3T1K |
1.5 |
HSP90 N-terminal domain bound to ANP |
2YE4 |
2.3 |
HSP90 inhibitors and drugs from fragment and virtual screening |
2YEB |
2.4 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4O07 |
1.86 |
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease |
4XIQ |
1.84 |
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors |
4EEH |
1.6 |
Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-(4-Hydroxy-phenyl)-1H-indazol-6-ol |
7S90 |
1.79 |
Cryogenic Human Hsp90a-NTD bound to adenine |
5LO1 |
2.7 |
HSP90 WITH indazole derivative |
3Q6M |
3.0 |
Crystal Structure of Human MC-HSP90 in C2221 Space Group |
6OLX |
1.43761 |
Hsp90-alpha S52A bound to PU-11-trans |
2YKE |
1.43 |
Tricyclic series of Hsp90 inhibitors |
2XHX |
2.801 |
Structure of HSP90 with small molecule inhibitor bound |
2CCS |
1.79 |
HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL |
6EYA |
2.1 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
7S98 |
1.9 |
Cryogenic Human Hsp90a-NTD bound to N6M |
5XRB |
1.65 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 |
6GPT |
2.0 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPCP |
5J80 |
1.17 |
Crystal Structure of Apo Hsp90-alpha N-domain L107A mutant |
2YE3 |
1.95 |
HSP90 inhibitors and drugs from fragment and virtual screening |
6LTK |
2.141 |
HSP90 in complex with SNX-2112 |
2BYI |
1.6 |
3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone |
4LWE |
1.5 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 |
3HYY |
1.9 |
Crystal structure of Hsp90 with fragment 37-D04 |
2FWZ |
2.1 |
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71 |
3T10 |
1.24 |
HSP90 N-terminal domain bound to ACP |
6TN4 |
1.274 |
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures |
6GPO |
1.48 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with cAMP |
3TUH |
1.8 |
Crystal Structure of the N-terminal domain of an HSP90 in the presence of an the inhibitor ganetespib |
5XQE |
1.699 |
Crystal structure of Human Hsp90 with FS3 |
5XR9 |
1.501 |
Crystal structure of Human Hsp90 with FS6 |
2BZ5 |
1.9 |
Structure-based Discovery of a New Class of Hsp90 Inhibitors |
7S95 |
1.71 |
Room-temperature Human Hsp90a-NTD bound to adenine |
6LR9 |
2.196 |
HSP90 in complex with Debio0932 |
6EY8 |
2.16 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
2YKJ |
1.46 |
Tricyclic series of Hsp90 inhibitors |
1BYQ |
1.5 |
HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG |
4CWR |
2.0 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
1YER |
1.65 |
HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, CLOSED CONFORMATION |
4HY6 |
1.649 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1 |
2YEI |
2.2 |
HSP90 inhibitors and drugs from fragment and virtual screening |
4CWT |
1.9 |
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor |
1UYH |
2.2 |
Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine |
2C2L |
3.3 |
Crystal structure of the CHIP U-box E3 ubiquitin ligase |
4XIP |
1.7 |
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors |
6EY9 |
2.0 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
5NYH |
1.65 |
Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative |
5XR5 |
1.6 |
Crystal structure of Human Hsp90 with FS4 |
5J86 |
1.87 |
Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide |
4FCP |
2.0 |
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization |
5J9X |
1.8 |
HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide |
2WI3 |
1.9 |
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone |
5LR1 |
1.44 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A. |
3D0B |
1.74 |
Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90 |
1UY9 |
2.0 |
Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine |
3K99 |
2.1 |
HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol |
5FNF |
2.1 |
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design |
7S9F |
2.3 |
Cryogenic Human Hsp90a-NTD bound to BIIB021 |
7KW7 |
3.57 |
Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR |
2YEF |
1.55 |
HSP90 inhibitors and drugs from fragment and virtual screening |
6CEO |
1.896 |
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor. |
7KRJ |
2.56 |
The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23 |
4LWF |
1.75 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 |
5LNY |
1.88 |
HSP90 WITH indazole derivative |
2XHR |
2.2 |
Structure of HSP90 with small molecule inhibitor bound |
6ELO |
1.8 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
2YEJ |
2.2 |
HSP90 inhibitors and drugs from fragment and virtual screening |
5T21 |
2.1 |
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019. |
4LWG |
1.599 |
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4 |
2YKC |
1.67 |
Tricyclic series of Hsp90 inhibitors |
2YE9 |
2.2 |
HSP90 inhibitors and drugs from fragment and virtual screening |
5GGZ |
2.015 |
Crystal structure of novel inhibitor bound with Hsp90 |
1UYF |
2.0 |
Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine |
6U9B |
1.75 |
Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58 |
6EI5 |
2.2 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
7LSZ |
1.7 |
Hsp90a N-terminal inhibitor |
3HHU |
1.59 |
Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} |
6GPW |
1.6 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) |
7RY0 |
2.2 |
human Hsp90_MC domain structure |
2K5B |
|
Human CDC37-HSP90 docking model based on NMR |
4XIT |
1.86 |
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors |
4B7P |
1.7 |
Structure of HSP90 with NMS-E973 inhibitor bound |
2YE6 |
2.56 |
HSP90 inhibitors and drugs from fragment and virtual screening |
2XHT |
2.27 |
Structure of HSP90 with small molecule inhibitor bound |
6TN5 |
1.165 |
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures |
4NH7 |
2.0 |
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity |
4CGU |
2.11 |
Full length Tah1 bound to yeast PIH1 and HSP90 peptide SRMEEVD |
3VHA |
1.39 |
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor |
6ELN |
1.6 |
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation |
3HEK |
1.95 |
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium |
5FNC |
2.2 |
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design |
2YKI |
1.67 |
Tricyclic series of Hsp90 inhibitors |
7UR3 |
1.6 |
Hsp90 alpha inhibitor |
7S8Z |
1.64 |
Room-temperature apo Human Hsp90a-NTD |
6B9A |
1.65381 |
Hsp90-alpha N-domain bound to NPCA |
3OWD |
1.63 |
Crystal Structure of HSP90 with N-Aryl-benzimidazolone II |
2YEH |
2.1 |
HSP90 inhibitors and drugs from fragment and virtual screening |
2XDU |
1.74 |
Structure of HSP90 with small molecule inhibitor bound |
1YC1 |
1.7 |
Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles |
5ODX |
1.82 |
Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative |
6GQ6 |
2.25 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with ADP |
6GPR |
2.35 |
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with cAMP |
2XAB |
1.9 |
Structure of HSP90 with an inhibitor bound |
4CGV |
2.54 |
First TPR of Spaghetti (RPAP3) bound to HSP90 peptide SRMEEVD |
7S8Y |
1.59 |
Cryogenic apo Human Hsp90a-NTD |
3Q6N |
3.05 |
Crystal Structure of Human MC-HSP90 in P21 space group |
2YI6 |
1.8 |
Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. |
4R3M |
1.8 |
Crystal structure of Human Hsp90 with JR9 |
2BT0 |
1.9 |
Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design |
3RKZ |
1.5693 |
Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. |
2VCJ |
2.5 |
4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer |
1UYI |
2.2 |
Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine |
3VHC |
1.41 |
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor |