6LMQ

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

Summary for 6LMQ

• Entry DOI: 10.2210/pdb6lmq/pdb
• Related: 6LMI
• Descriptor: Integrase catalytic, SULFATE ION, TRIETHYLENE GLYCOL, ... (5 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: 19343.73

Authors

Sugiyama, S.,Iwaki, T.,Tamura, Y.,Tomita, K.,Matsuoka, E.,Arita, S.,Seki, T.,Yoshinaga, T.,Kawasuji, T. (deposition date: 2019-12-26, 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; PubMed: 32773094; DOI: 10.1016/j.bmc.2020.115643

Experimental method

X-RAY DIFFRACTION (2.1 Å)