2wl0 | pdb_00002wl0

HIV-1 PROTEASE INHIBITORS CONTAINING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMIC WITH IMPROVED CELL-BASED ANTIVIRAL ACTIVITY

spinqualitylabelsall models 2wl0, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2wl0 is a 2 chain structure with sequence from Viruses. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 5AH Related: 2vg7, 1ajv, 1har, 1hps, 1t7k, 1d4j, 1r0a, 1hpz, 2vg6, 1hqe, 1qe1, 1npa, 1ajx, 1ebk, 1tvr, 1s6p, 1ikv, 1bqm, 1w5y, 1hos, 1ikw, 1s6q, 3hvt, 1ec1, 1ec0, 1t05, 1rvq, 1d4i, 1meu, 1s9g, 2be2, 1hnv, 1rvr, 1ikx, 1w5w, 1iky, 1qmc, 1n6q, 1d4h, 1rvn, 1hbv, 1htf, 1rtd, 1ec2, 2hmi, 1w5v, 1sv5, 2uy0, 1hmv, 2bbb, 1s9e, 1n5y, 1dlo, 2wkz, 1heg, 1rvp, 1rvl, 1dw6, 1eet, 1w5x, 1yt9, 2b6a, 1htg, 1hvu, 1ebw, 1rdh, 2ban, 1eby, 1j5o, 1rvo, 1hvp, 1mes, 1ec3, 1hef, 1hih, 1hni, 1tv6, 1a9m, 1ebz, 2b5j, 1hys, 1met, 1t03, 1axa, 1mer, 1npw, 3tlh, 1suq, 2uxz, 1hvk, 1sbg, 1bqn, 1uwb, 2vg5, 1rvm, 1hte, 1hrh, 1npv, 1hqu Activity: HIV-1 retropepsin, with EC number 3.4.23.16 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed By a small modification in the core structure of the previously reported series of HIV-1 protease inhibitors that encompasses a tertiary alcohol as part of the transition-state mimicking scaffold, up to 56 times more potent compounds were obtained exhibiting EC(50) values down to 3 nM. Three of the inhibitors also displayed excellent activity against selected resistant isolates of HIV-1. The synthesis of 25 new and optically pure HIV-1 protease inhibitors is reported, along with methods for elongation of the inhibitor P1' side chain using microwave-accelerated, palladium-catalyzed cross-coupling reactions, the biological evaluation, and X-ray data obtained from one of the most potent analogues cocrystallized with both the wild type and the L63P, V82T, I84 V mutant of the HIV-1 protease. HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.,Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlstrom J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A J Med Chem. 2009 Dec 4. PMID:19961222 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Virus protease

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