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6MCS

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003

Summary for 6MCS
Entry DOI10.2210/pdb6mcs/pdb
DescriptorProtease, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate (3 entities in total)
Functional Keywordshiv-1, inhibitor, viral protein
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains1
Total formula weight11519.61
Authors
Bulut, H.,Hayashi, H.,Hattori, S.I.,Aoki, M.,Das, D.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2018-09-02, release date: 2019-04-24, Last modification date: 2023-10-11)
Primary citationHattori, S.I.,Hayashi, H.,Bulut, H.,Rao, K.V.,Nyalapatla, P.R.,Hasegawa, K.,Aoki, M.,Ghosh, A.K.,Mitsuya, H.
Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.
Antimicrob.Agents Chemother., 63:-, 2019
Cited by
PubMed: 30962341
DOI: 10.1128/AAC.02635-18
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.52 Å)
Structure validation

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