8JYG

Crystal structure of Human HPSE1 in complex with inhibitor

Summary for 8JYG

• Entry DOI: 10.2210/pdb8jyg/pdb
• Descriptor: Heparanase 50 kDa subunit, Heparanase, (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, ... (6 entities in total)
• Functional Keywords: endo-glucoronidase, heparanase-1, hep, hpa, hpa1, hpr1, hpse1, hse1, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 54098.08

Authors

Mima, M.,Fujimoto, N.,Imai, Y. (deposition date: 2023-07-03, release date: 2023-09-20)

• Primary citation: Imai, Y.,Suzuki, R.,Wakasugi, D.,Matsuda, D.,Tanaka-Yamamoto, N.,Ohki, Y.,Mima, M.,Endo, M.,Tabata, R.,Matsuzawa, H.,Hasegawa, Y.,Kato, S.,Sugisaki, M.,Miyagawa, H.,Fujimoto, N.,Fukunaga, T.,Kato, S.,Takahashi, T.,Kakinuma, H.; Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.; Bioorg.Med.Chem., 93:117460-117460, 2023; PubMed: 37660465; DOI: 10.1016/j.bmc.2023.117460

Experimental method

X-RAY DIFFRACTION (2 Å)