1ZPB

Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide

Summary for 1ZPB

• Entry DOI: 10.2210/pdb1zpb/pdb
• Related: 1ZPC
• Descriptor: Coagulation factor XI, SULFATE ION, 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, ... (4 entities in total)
• Functional Keywords: fxi, inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Secreted: P03951
• Total number of polymer chains: 1
• Total formula weight: 27289.03

Authors

Deng, H.,Bannister, T.D.,Jin, L.,Nagafuji, P.,Celatka, C.A.,Lin, J.,Lazarova, T.I.,Rynkiewicz, M.J.,Quinn, J.,Bibbins, F.,Pandey, P.,Gorga, J.,Babine, R.E.,Meyers, H.V.,Abdel-Meguid, S.S.,Strickler, J.E. (deposition date: 2005-05-16, release date: 2006-04-18, Last modification date: 2023-08-23)

Primary citation

Deng, H.,Bannister, T.D.,Jin, L.,Babine, R.E.,Quinn, J.,Nagafuji, P.,Celatka, C.A.,Lin, J.,Lazarova, T.I.,Rynkiewicz, M.J.,Bibbins, F.,Pandey, P.,Gorga, J.,Meyers, H.V.,Abdel-Meguid, S.S.,Strickler, J.E.
Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16:3049-3054, 2006

PubMed Abstract: Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents.

PubMed: 16524727
DOI: 10.1016/j.bmcl.2006.02.052

Experimental method

X-RAY DIFFRACTION (2.1 Å)