7AK0

Human MALT1(329-729) in complex with a chromane urea containing inhibitor

Summary for 7AK0

• Entry DOI: 10.2210/pdb7ak0/pdb
• Descriptor: Mucosa-associated lymphoid tissue lymphoma translocation protein 1, 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea (3 entities in total)
• Functional Keywords: inhibitor, complex, allosteric inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 92312.27

Authors

Renatus, M. (deposition date: 2020-09-29, release date: 2020-12-09, Last modification date: 2024-01-31)

• Primary citation: Pissot Soldermann, C.,Simic, O.,Renatus, M.,Erbel, P.,Melkko, S.,Wartmann, M.,Bigaud, M.,Weiss, A.,McSheehy, P.,Endres, R.,Santos, P.,Blank, J.,Schuffenhauer, A.,Bold, G.,Buschmann, N.,Zoller, T.,Altmann, E.,Manley, P.W.,Dix, I.,Buchdunger, E.,Scesa, J.,Quancard, J.,Schlapbach, A.,Bornancin, F.,Radimerski, T.,Regnier, C.H.; Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.; J.Med.Chem., 63:14576-14593, 2020; PubMed: 33252239; DOI: 10.1021/acs.jmedchem.0c01245

Experimental method

X-RAY DIFFRACTION (2.316 Å)