6VL4

Crystal Structure of mPGES-1 bound to DG-031

Summary for 6VL4

• Entry DOI: 10.2210/pdb6vl4/pdb
• Descriptor: Prostaglandin E synthase, (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, octyl beta-D-glucopyranoside, ... (5 entities in total)
• Functional Keywords: mpges-1, membrane protein, isomerase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 18365.81

Authors

Ho, J.D.,Lee, M.R.,Rauch, C.T.,Aznavour, K.,Park, J.S.,Luz, J.G.,Antonysamy, S.,Condon, B.,Maletic, M.,Zhang, A.,Hickey, M.J.,Hughes, N.E.,Chandrasekhar, S.,Sloan, A.V.,Gooding, K.,Harvey, A.,Yu, X.P.,Kahl, S.D.,Norman, B.H. (deposition date: 2020-01-22, release date: 2020-12-02, Last modification date: 2024-10-23)

Primary citation

Ho, J.D.,Lee, M.R.,Rauch, C.T.,Aznavour, K.,Park, J.S.,Luz, J.G.,Antonysamy, S.,Condon, B.,Maletic, M.,Zhang, A.,Hickey, M.J.,Hughes, N.E.,Chandrasekhar, S.,Sloan, A.V.,Gooding, K.,Harvey, A.,Yu, X.P.,Kahl, S.D.,Norman, B.H.
Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865:129800-129800, 2020

PubMed Abstract: Due to the importance of both prostaglandins (PGs) and leukotrienes (LTs) as pro-inflammatory mediators, and the potential for eicosanoid shunting in the presence of pathway target inhibitors, we have investigated an approach to inhibiting the formation of both PGs and LTs as part of a multi-targeted drug discovery effort.

PubMed: 33246032
DOI: 10.1016/j.bbagen.2020.129800

Experimental method

X-RAY DIFFRACTION (1.4 Å)