6VAJ

Crystal Structure Analysis of human PIN1

Summary for 6VAJ

• Entry DOI: 10.2210/pdb6vaj/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, SULFATE ION, ... (5 entities in total)
• Functional Keywords: ppiase, covalent inhibitor, isomerase, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 20512.18

Authors

Seo, H.-S.,Dhe-Paganon, S. (deposition date: 2019-12-17, release date: 2020-12-30, Last modification date: 2023-10-11)

• Primary citation: Dubiella, C.,Pinch, B.J.,Koikawa, K.,Zaidman, D.,Poon, E.,Manz, T.D.,Nabet, B.,He, S.,Resnick, E.,Rogel, A.,Langer, E.M.,Daniel, C.J.,Seo, H.S.,Chen, Y.,Adelmant, G.,Sharifzadeh, S.,Ficarro, S.B.,Jamin, Y.,Martins da Costa, B.,Zimmerman, M.W.,Lian, X.,Kibe, S.,Kozono, S.,Doctor, Z.M.,Browne, C.M.,Yang, A.,Stoler-Barak, L.,Shah, R.B.,Vangos, N.E.,Geffken, E.A.,Oren, R.,Koide, E.,Sidi, S.,Shulman, Z.,Wang, C.,Marto, J.A.,Dhe-Paganon, S.,Look, T.,Zhou, X.Z.,Lu, K.P.,Sears, R.C.,Chesler, L.,Gray, N.S.,London, N.; Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.; Nat.Chem.Biol., 17:954-963, 2021; PubMed: 33972797; DOI: 10.1038/s41589-021-00786-7

Experimental method

X-RAY DIFFRACTION (1.42 Å)