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Structure paper

TitleWater Networks Repopulate Protein-Ligand Interfaces with Temperature.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 61, Page e202112919-e202112919, Year 2022
Publish dateSep 20, 2021 (structure data deposition date)
AuthorsStachowski, T.R. / Vanarotti, M. / Seetharaman, J. / Lopez, K. / Fischer, M.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:35648650
MethodsX-ray diffraction
Resolution1.45 - 2.3 Å
Structure data

PDB-7s8y:
Cryogenic apo Human Hsp90a-NTD
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7s8z:
Room-temperature apo Human Hsp90a-NTD
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-7s90:
Cryogenic Human Hsp90a-NTD bound to adenine
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7s95:
Room-temperature Human Hsp90a-NTD bound to adenine
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-7s98:
Cryogenic Human Hsp90a-NTD bound to N6M
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7s99:
Room-temperature Human Hsp90a-NTD bound to N6M
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-7s9f:
Cryogenic Human Hsp90a-NTD bound to BIIB021
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7s9g:
Room-temperature Human Hsp90a-NTD bound to BIIB021
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7s9h:
Cryogenic Human Hsp90a-NTD bound to EC144
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-7s9i:
Room-temperature Human Hsp90a-NTD bound to EC144
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-ADE:
ADENINE

ChemComp-N6M:
N-METHYL-9H-PURIN-6-AMINE

ChemComp-94M:
6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine

ChemComp-MG:
Unknown entry

ChemComp-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

Source
  • homo sapiens (human)
KeywordsChaperone / Hydrolase / CHAPERONE PROTEIN / SIGNAL TRANSDUCTION / HEAT SHOCK / chaperon / heat shock protein / signaling

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