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Structure paper

TitleStructural basis for the action of the drug trametinib at KSR-bound MEK.
Journal, issue, pagesNature, Vol. 588, Page 509-514, Year 2020
Publish dateAug 20, 2020 (structure data deposition date)
AuthorsKhan, Z.M. / Real, A.M. / Marsiglia, W.M. / Chow, A. / Duffy, M.E. / Yerabolu, J.R. / Scopton, A.P. / Dar, A.C.
External linksNature / PubMed:32927473
MethodsX-ray diffraction
Resolution2.82 - 3.63 Å
Structure data

PDB-7juq:
Crystal Structure of KSR2:MEK1 in complex with ADP
Method: X-RAY DIFFRACTION / Resolution: 3.22 Å

PDB-7jur:
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-7jus:
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

PDB-7jut:
Crystal Structure of KSR2:MEK1 in complex with ANP-PNP, and allosteric MEK inhibitor Selumetinib
Method: X-RAY DIFFRACTION / Resolution: 3.09 Å

PDB-7juu:
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Method: X-RAY DIFFRACTION / Resolution: 3.19 Å

PDB-7juv:
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Method: X-RAY DIFFRACTION / Resolution: 3.36 Å

PDB-7juw:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP
Method: X-RAY DIFFRACTION / Resolution: 2.88 Å

PDB-7jux:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Method: X-RAY DIFFRACTION / Resolution: 3.34 Å

PDB-7juy:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Method: X-RAY DIFFRACTION / Resolution: 3.096 Å

PDB-7juz:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib
Method: X-RAY DIFFRACTION / Resolution: 3.21 Å

PDB-7jv0:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Method: X-RAY DIFFRACTION / Resolution: 3.63 Å

PDB-7jv1:
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Method: X-RAY DIFFRACTION / Resolution: 3.62 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-QOM:
Trametinib / medication, anticancer, inhibitor*YM

ChemComp-VKD:
Cobimetinib / medication, anticancer, inhibitor*YM

ChemComp-3EW:
5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide / medication*YM

ChemComp-4BM:
N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide

ChemComp-VKG:
N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide

ChemComp-EUI:
[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE / medication, anticancer, inhibitor*YM

Source
  • homo sapiens (human)
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Pseudokinase / drug target / cell signaling and cancer / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / cell signaling / cancer

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