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Structure paper

TitleDiscovery of BAY-405: An Azaindole-Based MAP4K1 Inhibitor for the Enhancement of T-Cell Immunity against Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 17429-17453, Year 2024
Publish dateJun 8, 2023 (structure data deposition date)
AuthorsMowat, J. / Carretero, R. / Leder, G. / Aiguabella Font, N. / Neuhaus, R. / Berndt, S. / Gunther, J. / Friberg, A. / Schafer, M. / Briem, H. ...Mowat, J. / Carretero, R. / Leder, G. / Aiguabella Font, N. / Neuhaus, R. / Berndt, S. / Gunther, J. / Friberg, A. / Schafer, M. / Briem, H. / Raschke, M. / Miyatake Ondozabal, H. / Buchmann, B. / Boemer, U. / Kreft, B. / Hartung, I.V. / Offringa, R.
External linksJ. Med. Chem. / PubMed:39331123
MethodsX-ray diffraction
Resolution1.9 - 2.8 Å
Structure data

PDB-8par:
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8pas:
Crystal structure of MAP4K1 with a SMOL inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8pau:
Crystal structure of MAP4K1 with a SMOL inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-8pav:
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8paw:
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

Chemicals

ChemComp-GOL:
GLYCEROL


ChemComp, No image

ChemComp-XON:
Unknown entry

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-XOH:
Unknown entry


ChemComp, No image

ChemComp-XOR:
Unknown entry


ChemComp, No image

ChemComp-XOZ:
Unknown entry

ChemComp-CXS:
3-CYCLOHEXYL-1-PROPYLSULFONIC ACID / pH buffer*YM

ChemComp-ASP:
ASPARTIC ACID


ChemComp, No image

ChemComp-XQL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / inhibitor / drug discovery

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