6LMI

Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid

Summary for 6LMI

Entry DOI	10.2210/pdb6lmi/pdb
Descriptor	Integrase catalytic, SULFATE ION, TRIETHYLENE GLYCOL, ... (6 entities in total)
Functional Keywords	hydrolase transferase/inhibitor, transferase
Biological source	Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1)
Total number of polymer chains	1
Total formula weight	19404.81
Authors	Sugiyama, S.,Iwaki, T.,Tamura, Y.,Tomita, K.,Matsuoka, E.,Arita, S.,Seki, T.,Yoshinaga, T.,Kawasuji, T. (deposition date: 2019-12-25, release date: 2020-09-23, Last modification date: 2023-11-22)
Primary citation	Sugiyama, S.,Iwaki, T.,Tamura, Y.,Tomita, K.,Matsuoka, E.,Arita, S.,Seki, T.,Yoshinaga, T.,Kawasuji, T. Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold. Bioorg.Med.Chem., 28:115643-115643, 2020 Cited by PubMed: 32773094 DOI: 10.1016/j.bmc.2020.115643 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation