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Structure paper

TitleOmecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Journal, issue, pagesBiorxiv, Year 2023
Publish dateOct 26, 2023 (structure data deposition date)
AuthorsAuguin, D. / Robert-Paganin, J. / Rety, S. / Kikuti, C. / David, A. / Theumer, G. / Schmidt, A.W. / Knolker, H.J. / Houdusse, A.
External linksBiorxiv / PubMed:38014327
MethodsX-ray diffraction
Resolution1.8 - 2.759 Å
Structure data

PDB-8qyp:
Beta-cardiac myosin motor domain in the pre-powerstroke state
Method: X-RAY DIFFRACTION / Resolution: 2.759 Å

PDB-8qyq:
Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

PDB-8qyr:
Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8qyu:
Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

Chemicals

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

ChemComp-VO4:
VANADATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BEF:
BERYLLIUM TRIFLUORIDE ION

ChemComp-XB2:
6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione / medication, inhibitor*YM

ChemComp-FMT:
FORMIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-2OW:
methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate

ChemComp-MLA:
MALONIC ACID

Source
  • bos taurus (domestic cattle)
KeywordsCONTRACTILE PROTEIN / cardiac myosin modulators inherited cardiomyopathies / cardiac myosin modulators inherited cardiomyopathies mavcamten / cardiac myosin modulators inherited cardiomyopathies mavacamten / cardiac myosin modulators inherited cardiomyopathies Omecamtiv mecarbil

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