1T7K

Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea

Summary for 1T7K

Entry DOI	10.2210/pdb1t7k/pdb
Related	1MUI
Descriptor	Pol polyprotein [Contains: Protease (Retropepsin)], 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE (3 entities in total)
Functional Keywords	hiv protease, arylsulfonamide azacyclic urea, hydrolase
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22206.18
Authors	Huang, P.P.,Randolph, J.T.,Klein, L.L.,Vasavanonda, S.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J. (deposition date: 2004-05-10, release date: 2004-10-05, Last modification date: 2024-02-14)
Primary citation	Huang, P.P.,Randolph, J.T.,Klein, L.L.,Vasavanonda, S.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J. Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors Bioorg.Med.Chem.Lett., 14:4075-4078, 2004 Cited by PubMed Abstract: A series of novel azacyclic urea HIV protease inhibitors bearing a benzenesulfonamide group at P1' were synthesized utilizing a parallel synthesis method. Structural studies of early analogs bound in the enzyme active site were used to design more potent inhibitors. The effects of substituting the P1' benzenesulfonyl group on antiviral activity and protein binding are described. PubMed: 15225729 DOI: 10.1016/j.bmcl.2004.05.036 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation