4CPS
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Summary for 4CPS
Entry DOI | 10.2210/pdb4cps/pdb |
Related | 4CPQ 4CPR 4CPT 4CPU 4CPW 4CPX |
Descriptor | PROTEASE, CHLORIDE ION, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate, ... (4 entities in total) |
Functional Keywords | hydrolase, inhibitor, rational drug design |
Biological source | HUMAN IMMUNODEFICIENCY VIRUS |
Cellular location | Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366 |
Total number of polymer chains | 2 |
Total formula weight | 22384.58 |
Authors | DeRosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M. (deposition date: 2014-02-08, release date: 2014-12-17, Last modification date: 2024-05-01) |
Primary citation | De Rosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M. Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57:6444-, 2014 Cited by PubMed: 25054811DOI: 10.1021/JM500434Q PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.55 Å) |
Structure validation
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