5NEG

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt

Summary for 5NEG

• Entry DOI: 10.2210/pdb5neg/pdb
• Descriptor: Protein enabled homolog, ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate, NITRATE ION, ... (5 entities in total)
• Functional Keywords: proline-rich motif, ena/vasp inhibitor, actin, protein-protein interaction, cell adhesion
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 27255.21

Authors

Barone, M.,Roske, Y. (deposition date: 2017-03-10, release date: 2018-03-21, Last modification date: 2024-01-31)

• Primary citation: Barone, M.,Muller, M.,Chiha, S.,Ren, J.,Albat, D.,Soicke, A.,Dohmen, S.,Klein, M.,Bruns, J.,van Dinther, M.,Opitz, R.,Lindemann, P.,Beerbaum, M.,Motzny, K.,Roske, Y.,Schmieder, P.,Volkmer, R.,Nazare, M.,Heinemann, U.,Oschkinat, H.,Ten Dijke, P.,Schmalz, H.G.,Kuhne, R.; Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.; Proc.Natl.Acad.Sci.USA, 117:29684-29690, 2020; PubMed: 33184177; DOI: 10.1073/pnas.2007213117

Experimental method

X-RAY DIFFRACTION (1.29 Å)