Methotrexate recognition by the human reduced folate carrier SLC19A1 - Nature

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Methotrexate recognition by the human reduced folate carrier SLC19A1 - Nature
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Nature research paper: Methotrexate recognition by the human reduced folate carrier SLC19A1

MD simulation of hRFC–MTX. A representative movie of a 1-µs MD simulation of hRFC–MTX, where MTX is covalently linked to K411. Functionally important residues E123, R133, R157 and R373 and K411–MTX are depicted as sticks. The protein in the cartoon is coloured by the N-terminal half and C-terminal half .MD simulation of hRFC with unlinked MTX. A representative movie of a 2-µs MD simulation of hRFC with MTX unlinked from K411.

MTX and functionally important residues E123, R133, R157 and R373 are shown as sticks. The protein in the cartoon is coloured by its N-terminal half and C-terminal half .MD simulation of hRFC with PT523. A representative movie of a 0.7-µs MD simulation of hRFC with PT523 docked into the MTX–hRFC structure . PT523 and functionally important residues E123, R133, R157 and R373 are shown as sticks. The protein in the cartoon is coloured by its N-terminal half and C-terminal half .

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