2025-07-19_00000009|ligand|8VRP

HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor; X-ray diffraction 1.80Å
Protein #1 229 residues (97% resolved)

PIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKAR

PIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKAR
Non polymer #2 A1ADQ

InChI=1S/C43H32ClF9N8O5S/c1-2-67(65,66)58-39-36-29(44)10-11-34(37(36)60(57-39)20-42(48,49)50)61-40(55-31-16-23(8-9-27(31)41(61)64)22-6-7-24(19-62)30(47)15-22)32(14-21-12-25(45)17-26(46)13-21)54-35(63)18-59-33-5-3-4-28(33)38(56-59)43(51,52)53/h6-13,15-17,19,32H,2-5,14,18,20H2,1H3,(H,54,63)(H,57,58)

CCS(=O)(=O)Nc1c2c(ccc(c2n(n1)CC(F)(F)F)N3C(=O)c4ccc(cc4N=C3[C@H](Cc5cc(cc(c5)F)F)NC(=O)Cn6c7c(c(n6)C(F)(F)F)CCC7)c8ccc(c(c8)F)C=O)Cl
Non polymer #3 IOD

InChI=1S/HI/h1H/p-1

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Reference