9R9M

Crystal Structure of human MLH1 C-terminal domain with cyclic peptide (2S)-N-[(6S,9S,12S,15S,18S,26aR)-12-(4-aminobutyl)-18-benzyl-21-(2-carbamoylethyl)-9-(hydroxymethyl)- 15-[(4-hydroxyphenyl)methyl]-1,7,10,13,16,19,22-heptaoxo-hexacosahydropyrrolo[2,1-c]1,4,7,10,13,16,19-heptaazacyclotetracosan-6-yl]-2-[(2S)-2-acetamidopropanamido]-3-methylbutanamide

This is a non-PDB format compatible entry.

Summary for 9R9M

• Entry DOI: 10.2210/pdb9r9m/pdb
• Related: 9P4B 9P51 9P5C
• Descriptor: DNA mismatch repair protein Mlh1, Cyclic peptide 1, Cyclic peptide 2, ... (7 entities in total)
• Functional Keywords: mutl, dna repair, endonuclease, dna binding protein
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 4
• Total formula weight: 64362.38

Authors

Thomsen, M.,Bandera, A.M.,Thieulin-Pardo, G. (deposition date: 2025-05-20, release date: 2026-07-08)

• Primary citation: Haque, T.S.,Orvieto, F.,Tomaselli, S.,Turcano, L.,De Simone, D.,Francone, A.,Micaelli, M.,Movetti, S.,Piacenti, V.,Gambini, L.,Alli, C.,Fodale, V.,Bianchi, E.,Toniatti, C.,Kawahara, D.,Ghosh, S.,Koszelak-Rosenblum, M.,Zhu, G.,Kintzel, S.,Williams, D.,Larocque, J.,Thieulin-Pardo, G.,Thomsen, M.,Dominguez, C.,Iyer, R.R.,Finley, M.,Felsenfeld, D.,Boudet, J.,Monteagudo, E.,Vogt, T.F.,Prasad, B.C.; Cyclic Peptide Inhibitors of the MLH1-MSH3 Interaction as a Potential Therapeutic Strategy for Huntington's Disease; Chemrxiv, 2026; DOI: 10.26434/chemrxiv.15000289/v2

Experimental method

X-RAY DIFFRACTION (2.281 Å)