2025-12-20_00000235|ligand|9Q0T

Crystal structure of WT HIV-1 protease (NL4-3) with inhibitor NR05-01; X-ray diffraction 1.87Å
Protein #1 99 residues (100% resolved)

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Non polymer #2 A1CNI

InChI=1S/C30H38F2N2O8S/c1-17(2)14-34(43(38,39)22-4-5-23-19(12-22)3-6-26(23)35)15-27(36)25(11-18-9-20(31)13-21(32)10-18)33-30(37)42-28-16-41-29-24(28)7-8-40-29/h4-5,9-10,12-13,17,24-29,35-36H,3,6-8,11,14-16H2,1-2H3,(H,33,37)/t24-,25-,26-,27+,28-,29+/m0/s1

CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)CC[C@@H]5O
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Reference