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. 2021 Apr 21;14:67. doi: 10.1186/s13045-021-01079-1

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© The Author(s) 2021

Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated in a credit line to the data.

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Fig. 4 — Co-crystal structures of MCL-1 in complex with its inhibitor. a MCL-1/S63845 complex (PDB: 5LOF), b MCL-1/S64315 complex (PDB: 6YBL), c MCL-1/AZD5991 complex (PDB: 6FS0), D. MCL-1/AM-8621 complex (PDB: 6OQB), e MCL-1/VU661013 complex (PDB: 6NE5), f MCL-1/A-1210477 lead compound complex (PDB: 5VKC). The four hydrophobic pockets (P1-4) and Arg263 are highlighted and labelled. g MCL-1 hot-spots residues for P1-P4 pockets and the four hydrophobic residues of BIM (h1, h2, h3, h4) based on the MCL-1/BIM structure (PDB: 2NL9)