UniProt P07900
Heat shock protein HSP 90-alpha (P07900)
Heat shock protein HSP 90-alpha (UniProt P07900), EC 3.6.4.10: 589 experimental structures and 1 predicted model on GenesisL1, 87 ligands bound, 140 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P07900
- Protein
- Heat shock protein HSP 90-alpha
- EC
- 3.6.4.10
- Experimental structures
- 589
- Predicted models
- 1
- Ligands
- 87
- Pockets
- 140 · 35 records with a druggable one
Structures
590 records of P07900 in the MolNFT archive: 589 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BYQ | HSP90 N-terminal domain bound to ADP-mg | x-ray diffraction | A | — | — |
| 1BYQ | HSP90 N-terminal domain bound to ADP-mg | x-ray diffraction | A | — | — |
| 1OSF | Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin | x-ray diffraction | A | — | — |
| 1OSF | Human HSP90 in complex with 17-desmethoxy-17-N,N- dimethylaminoethylamino-geldanamycin | x-ray diffraction | A | — | — |
| 1UY6 | Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UY6 | Human HSP90-alpha with 9-butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UY7 | Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UY7 | Human HSP90-alpha with 9-butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UY8 | Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine | x-ray diffraction | A | — | — |
| 1UY8 | Human HSP90-alpha with 9-butyl-8-(3-trimethoxy-benzyl)-9H-purin-6YLAMINE | x-ray diffraction | A | — | — |
| 1UY9 | Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UY9 | Human HSP90-alpha with 8-BENZO[1,3]DIOXOL-,5-ylmethyl-9-butyl-9H- purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYC | Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYC | Human HSP90-alpha with 9-butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6- ylamine | x-ray diffraction | A | — | — |
| 1UYD | Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYD | Human HSP90-alpha with 9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)- 9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYE | Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYE | Human HSP90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4- ylnyl-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYF | Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylami… | x-ray diffraction | A | — | — |
| 1UYF | Human HSP90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro… | x-ray diffraction | A | — | — |
| 1UYG | Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYG | Human HSP90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6- ylamine | x-ray diffraction | A | — | — |
| 1UYH | Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYH | Human HSP90-alpha with 9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H- purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYI | Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYI | Human HSP90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H- purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYK | Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYK | Human HSP90-alpha with 8-BENZO[1,3]DIOXOL-,5-ylmethyl-9-butyl-2- fluoro-9H-purin-6-ylamine | x-ray diffraction | A | — | — |
| 1UYL | Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms | x-ray diffraction | A | — | — |
| 1UYL | Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms | x-ray diffraction | A | — | — |
| 1YC1 | Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YC1 | Crystal structures of human HSP90ALPHA complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YC3 | Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YC3 | Crystal structure of human HSP90ALPHA complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YC4 | Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YC4 | Crystal structure of human HSP90ALPHA complexed with dihydroxyphenylpyrazoles | x-ray diffraction | A | — | — |
| 1YER | Human HSP90 geldanamycin-binding domain, closed" conformation" | x-ray diffraction | A | — | — |
| 1YER | Human HSP90 geldanamycin-binding domain, "closed" conformation | x-ray diffraction | A | — | — |
| 1YES | Human HSP90 geldanamycin-binding domain, open" conformation" | x-ray diffraction | A | — | — |
| 1YES | Human HSP90 geldanamycin-binding domain, "open" conformation | x-ray diffraction | A | — | — |
| 1YET | Geldanamycin bound to the HSP90 geldanamycin-binding domain | x-ray diffraction | A | — | — |
| 1YET | Geldanamycin bound to the HSP90 geldanamycin-binding domain | x-ray diffraction | A | — | — |
| 2BSM | Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through… | x-ray diffraction | A | — | — |
| 2BSM | Novel, potent small molecule inhibitors of the molecular chaperone HSP90 discovered through… | x-ray diffraction | A | — | — |
| 2BT0 | Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through… | x-ray diffraction | A, B | — | — |
| 2BT0 | Novel, potent small molecule inhibitors of the molecular chaperone HSP90 discovered through… | x-ray diffraction | A, B | — | — |
| 2BYH | 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular… | x-ray diffraction | A | — | — |
| 2BYH | 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the HSP90 molecular… | x-ray diffraction | A | — | — |
| 2BYI | 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular… | x-ray diffraction | A | — | — |
| 2BYI | 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the HSP90 molecular… | x-ray diffraction | A | — | — |
| 2BZ5 | Structure-based Discovery of a New Class of Hsp90 Inhibitors | x-ray diffraction | A, B | — | — |
| 2BZ5 | Structure-based discovery of a new class of HSP90 inhibitors | x-ray diffraction | A, B | — | — |
| 2CCS | Human HSP90 with 4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-3-yl)- benzene-1,2-diol | x-ray diffraction | A | — | — |
| 2CCS | Human HSP90 with 4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-3-yl)- benzene-1,2-diol | x-ray diffraction | A | — | — |
| 2CCT | Human HSP90 with 5-(5-chloro-2,4-dihydroxy-phenyl)-4-piperazin-1-yl- 2H-pyrazole-3-carboxylic acid… | x-ray diffraction | A | — | — |
| 2CCT | Human HSP90 with 5-(5-chloro-2,4-dihydroxy-phenyl)-4-piperazin-1-yl- 2H-pyrazole-3-carboxylic acid… | x-ray diffraction | A | — | — |
| 2CCU | Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… | x-ray diffraction | A | — | — |
| 2CCU | Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… | x-ray diffraction | A | — | — |
| 2JJC | Hsp90 alpha ATPase domain with bound small molecule fragment | x-ray diffraction | A | — | — |
| 2JJC | HSP90 alpha ATPase domain with bound small molecule fragment | x-ray diffraction | A | — | — |
530 records more on the page itself.
Ligands
- MG · Magnesium ion · in 37 records
- SO4 · Sulfate ion · in 17 records
- CL · Chloride ion · in 7 records
- ADP · Adenosine-5'-diphosphate · in 6 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 6 records
- A12 · Phosphomethylphosphonic acid adenosyl ester · in 5 records
- CMP · Adenosine-3',5'-cyclic-monophosphate · in 5 records
- 7PP · 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol · in 4 records
- APC · Diphosphomethylphosphonic acid adenosyl ester · in 4 records
- ATP · Adenosine-5'-triphosphate · in 3 records
- KFY · 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl) methyl]-9H-purin-6-amine · in 3 records
- Q2A · 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride · in 3 records
- 2EQ · 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide · in 2 records
- 6DL · 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one · in 2 records
- 6FF · 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide · in 2 records
- 6FJ · 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide · in 2 records
- 70K · 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide · in 2 records
- 70L · 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide · in 2 records
- 70M · 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile · in 2 records
- 70Z · ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide · in 2 records
- 72Y · 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl) methyl]pyrrolo[2,3-d]pyrimidin-2-amine · in 2 records
- 73S · 2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4, 5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide · in 2 records
- 73Y · 6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide · in 2 records
- 73Z · 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl) benzamide · in 2 records
- 7F9 · ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide · in 2 records
- 7FX · [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone · in 2 records
- 8CR · N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide · in 2 records
- 8CU · N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide · in 2 records
- 94M · 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine · in 2 records
- 9R8 · 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide · in 2 records
Experiment against prediction
- 7KRJ chain B against the predicted model P07900: TM-score 0.99, RMSD 0.95 Å
- 7KRJ chain B against the predicted model P07900: TM-score 0.99, RMSD 0.95 Å
- 7KRJ chain A against the predicted model P07900: TM-score 0.99, RMSD 1.00 Å
- 7KRJ chain A against the predicted model P07900: TM-score 0.99, RMSD 1.00 Å
- 7L7J chain A against the predicted model P07900: TM-score 0.98, RMSD 1.14 Å
- 7L7I chain A against the predicted model P07900: TM-score 0.98, RMSD 1.17 Å
- 7L7I chain B against the predicted model P07900: TM-score 0.98, RMSD 1.20 Å
- 7L7J chain B against the predicted model P07900: TM-score 0.98, RMSD 1.20 Å
- 8FFV chain A against the predicted model P07900: TM-score 0.96, RMSD 1.89 Å
- 8FFV chain B against the predicted model P07900: TM-score 0.96, RMSD 1.54 Å
Elsewhere
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