Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3LGP

Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor

Summary for 3LGP
Entry DOI10.2210/pdb3lgp/pdb
Related1bkc 3KMC 3KME
DescriptorDisintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, ... (4 entities in total)
Functional Keywordsglycoprotein, membrane, metal-binding, metalloprotease, notch signaling pathway, phosphoprotein, protease, transmembrane, zymogen, cleavage on pair of basic residues, disulfide bond, hydrolase, sh3-binding
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P78536
Total number of polymer chains2
Total formula weight62483.18
Authors
Orth, P. (deposition date: 2010-01-21, release date: 2010-07-28, Last modification date: 2024-11-06)
Primary citationLi, D.,Popovici-Muller, J.,Belanger, D.B.,Caldwell, J.,Dai, C.,David, M.,Girijavallabhan, V.M.,Lavey, B.J.,Lee, J.F.,Liu, Z.,Mazzola, R.,Rizvi, R.,Rosner, K.E.,Shankar, B.,Spitler, J.,Ting, P.C.,Vaccaro, H.,Yu, W.,Zhou, G.,Zhu, Z.,Niu, X.,Sun, J.,Guo, Z.,Orth, P.,Chen, S.,Kozlowski, J.A.,Lundell, D.J.,Madison, V.,McKittrick, B.,Piwinski, J.J.,Shih, N.Y.,Shipps, G.W.,Siddiqui, M.A.,Strickland, C.O.
Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20:4812-4815, 2010
Cited by
PubMed Abstract: The syntheses and structure-activity relationships of the tartrate-based TACE inhibitors are discussed. The optimization of both the prime and non-prime sites led to compounds with picomolar activity. Several analogs demonstrated good rat pharmacokinetics.
PubMed: 20638281
DOI: 10.1016/j.bmcl.2010.06.104
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.9 Å)
Structure validation

227561

PDB entries from 2024-11-20

PDB statisticsPDBj update infoContact PDBjnumon