6UWC
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613
Summary for 6UWC
Entry DOI | 10.2210/pdb6uwc/pdb |
Related | 4HLA 6D0D 6D0E |
Descriptor | Protease, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate (3 entities in total) |
Functional Keywords | protease inhibitors, aids, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22286.35 |
Authors | Yedidi, R.S.,Hayashi, H.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2019-11-05, release date: 2020-11-18, Last modification date: 2023-10-11) |
Primary citation | Amano, M.,Yedidi, R.S.,Salcedo-Gomez, P.M.,Hayashi, H.,Hasegawa, K.,Martyr, C.D.,Ghosh, A.K.,Mitsuya, H. Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66:e0171521-e0171521, 2022 Cited by PubMed: 34978889DOI: 10.1128/AAC.01715-21 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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