3O64

Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides

Summary for 3O64

• Entry DOI: 10.2210/pdb3o64/pdb
• Related: 3KMC 3KME 3LGP
• Related PRD ID: PRD_000919
• Descriptor: TACE, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... (7 entities in total)
• Functional Keywords: hydrolase, adam proteins, enzyme inhibitors, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P78536
• Total number of polymer chains: 2
• Total formula weight: 62587.83

Authors

Orth, P. (deposition date: 2010-07-28, release date: 2011-04-20, Last modification date: 2023-09-06)

• Primary citation: Dai, C.,Li, D.,Popovici-Muller, J.,Zhao, L.,Girijavallabhan, V.M.,Rosner, K.E.,Lavey, B.J.,Rizvi, R.,Shankar, B.B.,Wong, M.K.,Guo, Z.,Orth, P.,Strickland, C.O.,Sun, J.,Niu, X.,Chen, S.,Kozlowski, J.A.,Lundell, D.J.,Piwinski, J.J.,Shih, N.Y.,Siddiqui, M.A.; 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.; Bioorg.Med.Chem.Lett., 21:3172-3176, 2011; PubMed: 21458257; DOI: 10.1016/j.bmcl.2011.01.002

Experimental method

X-RAY DIFFRACTION (1.88 Å)