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Structure for peptidase A02.001: HIV-1 retropepsin

Summary Alignment Sequences Sequence features Distribution Structure Literature Substrates Pharma

 

PDB Organism Resolution Comment
5HVP human immunodeficiency virus 1 2.00 Å complex with acetyl-pepstatin
The dimer is shown. The active site residue Asp93 is shown in ball-and-stick representation in pink (one from each monomer).
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TERTIARY STRUCTURE DATA
Comment Resolution PDB PDBe SCOP CATH PDBSum Proteopedia Reference
human immunodeficiency virus 1
complex with Glu-Asp-Leu inhibitor 2.00 Å 1A30 1A30 1A30 1A30 1A30 1A30 Louis et al., 1998
complex with SDZ283-910 inhibitor 2.50 Å 1A8G 1A8G 1A8G 1A8G 1A8G 1A8G Ringhofer et al., 1999
complex with CA-P2 peptide substrate analogue 2.00 Å 1A8K 1A8K 1A8K 1A8K 1A8K 1A8K Weber et al., 1997
complex with Arg-Val-Leu-Phe-Glu-Ala-norLeu-NH2 2.00 Å 1A94 1A94 1A94 1A94 1A94 1A94 Wu et al., 1998
complex with U-89360E inhibitor 2.30 Å 1A9M 1A9M 1A9M 1A9M 1A9M 1A9M Hong et al., 1997
complex with methyl N-(4S,5S)-5-[(L-alanyl-L-alanyl)amino]- 4-hydroxy-6-phenylhexanoyl-L-valyl-L-valinate 2.50 Å 1AAQ 1AAQ 1AAQ 1AAQ 1AAQ 1AAQ Dreyer et al., 1992
complex with UCSF8 inhibitor 2.20 Å 1AID 1AID 1AID 1AID 1AID 1AID Rutenber et al., 1993
complex with AHA006 inhibitor 2.00 Å 1AJV 1AJV 1AJV 1AJV 1AJV 1AJV Backbro et al., 1997
complex with AHA001 inhibitor 2.00 Å 1AJX 1AJX 1AJX 1AJX 1AJX 1AJX Backbro et al., 1997
Ala28Ser mutant 2.00 Å 1AXA 1AXA 1AXA 1AXA 1AXA 1AXA Hong et al., 1998
complex with macrocyclic peptidomimetic inhibitor 1 1.85 Å 1B6J 1B6J 1B6J 1B6J 1B6J 1B6J Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 5 1.85 Å 1B6K 1B6K 1B6K 1B6K 1B6K 1B6K Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 4 1.75 Å 1B6L 1B6L 1B6L 1B6L 1B6L 1B6L Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 6 1.85 Å 1B6M 1B6M 1B6M 1B6M 1B6M 1B6M Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 3 1.85 Å 1B6N 1B6N 1B6N 1B6N 1B6N 1B6N Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 2 1.85 Å 1B6O 1B6O 1B6O 1B6O 1B6O 1B6O Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 7 2.00 Å 1B6P 1B6P 1B6P 1B6P 1B6P 1B6P Martin et al., 1999
mutant; complex with SB203386 inhibitor 2.80 Å 1BDL 1BDL 1BDL 1BDL 1BDL 1BDL Swairjo et al., 1998
complex with SB203386 inhibitor 2.50 Å 1BDQ 1BDQ 1BDQ 1BDQ 1BDQ 1BDQ Swairjo et al., 1998
mutant; complex with SB203386 inhibitor 2.80 Å 1BDR 1BDR 1BDR 1BDR 1BDR 1BDR Swairjo et al., 1998
Val3Ile, Ile64Val, Val77Ile mutant; complex with cyclic urea amide XV638 2.00 Å 1BV7 1BV7 1BV7 1BV7 1BV7 1BV7 Ala et al., 1998
mutant; complex with XV638 (Dupont Pharmaceuticals) 2.00 Å 1BV9 1BV9 1BV9 1BV9 1BV9 1BV9 Ala et al., 1998
NMR structure; complex with DMP323 0.00 Å 1BVE 1BVE 1BVE 1BVE 1BVE 1BVE Yamazaki et al., 1996
NMR structure; complex with DMP323 0.00 Å 1BVG 1BVG 1BVG 1BVG 1BVG 1BVG Yamazaki et al., 1996
Val82Phe and Ile84Val double mutant; complex with XV638 (Dupont Pharmaceuticals) 1.90 Å 1BWA 1BWA 1BWA 1BWA 1BWA 1BWA Ala et al., 1998
Val82Phe and Ile84Val double mutant; complex with SD146 (Dupont Pharmaceuticals) 1.80 Å 1BWB 1BWB 1BWB 1BWB 1BWB 1BWB Ala et al., 1998
complex with L-739,622 inhibitor 2.50 Å 1C6X 1C6X 1C6X 1C6X 1C6X 1C6X Munshi et al., 2000
complex with L-735,524 inhibitor 2.50 Å 1C6Y 1C6Y 1C6Y 1C6Y 1C6Y 1C6Y Munshi et al., 2000
complex with ROC 505 inhibitor 2.50 Å 1C6Z 1C6Z 1C6Z 1C6Z 1C6Z 1C6Z Munshi et al., 2000
complex with L-756,423 inhibitor 2.50 Å 1C70 1C70 1C70 1C70 1C70 1C70 Munshi et al., 2000
complex with a cyclic peptide inhibitor 2.05 Å 1CPI 1CPI 1CPI 1CPI 1CPI 1CPI
complex with inhibitor BEA435 1.81 Å 1D4H 1D4H 1D4H 1D4H 1D4H 1D4H Andersson et al., 2003
complex with inhibitor BEA425 1.81 Å 1D4I 1D4I 1D4I 1D4I 1D4I 1D4I Andersson et al., 2003
complex with inhibitor MSL370 1.81 Å 1D4J 1D4J 1D4J 1D4J 1D4J 1D4J Andersson et al., 2003
complex with N-13-[(10S,13S)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2R)-benzyl-(4S)-hydroxy-5-aminopentanoic (1R)- hydroxy-(2S)-indaneamide 1.85 Å 1D4K 1D4K 1D4K 1D4K 1D4K 1D4K Tyndall et al., 2000
complex with (10S,13S,1'R)-13-[1'-hydroxy-2'-(N-P-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene 1.75 Å 1D4L 1D4L 1D4L 1D4L 1D4L 1D4L Tyndall et al., 2000
Val82Phe, Ile84Val double mutant; complex with tipranavir inhibitor 2.50 Å 1D4S 1D4S 1D4S 1D4S 1D4S 1D4S Thaisrivongs et al., 1996
Gln7Lys, Leu33Ile, Leu63Ile mutant: complex with tipranavir 1.97 Å 1D4Y 1D4Y 1D4Y 1D4Y 1D4Y 1D4Y Thaisrivongs et al., 1996
drug resistant mutant; complex with peptide inhibitor 1.55 Å 1DAZ 1DAZ 1DAZ 1DAZ 1DAZ 1DAZ Mahalingam et al., 1999
complex with a difluoroketone containing inhibitor A79285 1.70 Å 1DIF 1DIF 1DIF 1DIF 1DIF 1DIF Silva et al., 1996
complex with DMP450 (Dupont-Merck) 2.00 Å 1DMP 1DMP 1DMP 1DMP 1DMP 1DMP Hodge et al., 1996
complex with inhibitor analogue of CA-P2 processing site 1.88 Å 1DW6 1DW6 1DW6 1DW6 1DW6 1DW6 Mahalingam et al., 1999
drug-resistant mutant 2.06 Å 1EBK 1EBK 1EBK 1EBK 1EBK 1EBK Mahalingam et al., 1999
complex with inhibitor BEA322 1.81 Å 1EBW 1EBW 1EBW 1EBW 1EBW 1EBW Andersson et al., 2003
complex with inhibitor BEA369 2.29 Å 1EBY 1EBY 1EBY 1EBY 1EBY 1EBY Andersson et al., 2003
complex with inhibitor BEA388 2.01 Å 1EBZ 1EBZ 1EBZ 1EBZ 1EBZ 1EBZ Andersson et al., 2003
complex with inhibitor BEA403 1.79 Å 1EC0 1EC0 1EC0 1EC0 1EC0 1EC0 Lindberg et al., 2004
complex with inhibitor BEA409 2.10 Å 1EC1 1EC1 1EC1 1EC1 1EC1 1EC1 Andersson et al., 2003
complex with inhibitor BEA428 2.00 Å 1EC2 1EC2 1EC2 1EC2 1EC2 1EC2 Andersson et al., 2003
complex with inhibitor MSA367 1.80 Å 1EC3 1EC3 1EC3 1EC3 1EC3 1EC3 Andersson et al., 2003
complex with Lys-Ala-Arg-Val-Leu-Ala-Glu-Ala-Met-Ser substrate 2.00 Å 1F7A 1F7A 1F7A 1F7A 1F7A 1F7A Prabu-Jeyabalan et al., 2000
Val48Gly, Met90Leu mutant; complex with saquinavir 2.60 Å 1FB7 1FB7 1FB7 1FB7 1FB7 1FB7 Hong et al., 2000
complex with substrate acetyl-Thr-Ile-norLeu-norLeu-Gln-Arg 1.78 Å 1FEJ 1FEJ 1FEJ 1FEJ 1FEJ 1FEJ Mahalingam et al., 2001
engineered; complex with acetyl-Thr-Ile-norLeu-norLeu-Gln-Arg inhibitor 1.85 Å 1FF0 1FF0 1FF0 1FF0 1FF0 1FF0 Mahalingam et al., 2001
engineered; complex with Arg-Val-2-amino-4-methyl-pentan-1-ol-Phe-Glu-Ala-norLeu-NH2 inhibitor 1.90 Å 1FFF 1FFF 1FFF 1FFF 1FFF 1FFF Mahalingam et al., 2001
engineered; complex with acetyl-Thr-Ile-norLeu-norLeu-Gln-Arg inhibitor 1.70 Å 1FFI 1FFI 1FFI 1FFI 1FFI 1FFI Mahalingam et al., 2001
engineered; complex with acetyl-Thr-Ile-norLeu-norLeu-Gln-Arg inhibitor 1.80 Å 1FG6 1FG6 1FG6 1FG6 1FG6 1FG6 Mahalingam et al., 2001
engineered; complex with Arg-Val-2-amino-4-methyl-pentan-1-ol-Phe-Glu-Ala-norLeu-NH2 inhibitor 1.85 Å 1FG8 1FG8 1FG8 1FG8 1FG8 1FG8 Mahalingam et al., 2001
engineered; complex with acetyl-Thr-Ile-norLeu-norLeu-Gln-Arg inhibitor 1.90 Å 1FGC 1FGC 1FGC 1FGC 1FGC 1FGC Mahalingam et al., 2001
complex with Boc-3(S)-amino-4-phenyl-butan-2(S)-yl-Phe-Glu-Phe-NH2 inhibitor 3.10 Å 1FQX 1FQX 1FQX 1FQX 1FQX 1FQX Dohnalek et al., 2001
complex with cyclic sulfamide inhibitor AHA047 1.95 Å 1G2K 1G2K 1G2K 1G2K 1G2K 1G2K Schaal et al., 2001
complex with AHA024 inhibitor 1.80 Å 1G35 1G35 1G35 1G35 1G35 1G35 Schaal et al., 2001
homodimer covalently linked through engineered pentapeptide linker 1.90 Å 1G6L 1G6L 1G6L 1G6L 1G6L 1G6L Pillai et al., 2001
Val82Asp mutant; complex with U89360E inhibitor 2.30 Å 1GNM 1GNM 1GNM 1GNM 1GNM 1GNM Hong et al., 1996
Val82Asn mutant; complex with U89360E inhibitor 2.30 Å 1GNN 1GNN 1GNN 1GNN 1GNN 1GNN Hong et al., 1996
complex with U89360E inhibitor 2.30 Å 1GNO 1GNO 1GNO 1GNO 1GNO 1GNO Hong et al., 1996
complex with SB203238 2.30 Å 1HBV 1HBV 1HBV 1HBV 1HBV 1HBV Hoog et al., 1995
recombinant 2.20 Å 1HEF 1HEF 1HEF 1HEF 1HEF 1HEF Murthy et al., 1992
recombinant 2.20 Å 1HEG 1HEG 1HEG 1HEG 1HEG 1HEG Murthy et al., 1992
recombinant 2.70 Å 1HHP 1HHP 1HHP 1HHP 1HHP 1HHP Spinelli et al., 1991
complex with CGP 53820 2.20 Å 1HIH 1HIH 1HIH 1HIH 1HIH 1HIH Priestle et al., 1995
mature  peptidase 2.00 Å 1HIV 1HIV 1HIV 1HIV 1HIV 1HIV Thanki et al., 1992
complex with SB204144 2.30 Å 1HOS 1HOS 1HOS 1HOS 1HOS 1HOS Abdel-Meguid et al., 1993
mutant form; complex with benzenesulfonamide inhibitor U103265 2.50 Å 1HPO 1HPO 1HPO 1HPO 1HPO 1HPO Skulnick et al., 1997
mature  peptidase 2.30 Å 1HPS 1HPS 1HPS 1HPS 1HPS 1HPS Thompson et al., 1994
complex with VX-478 1.90 Å 1HPV 1HPV 1HPV 1HPV 1HPV 1HPV Kim et al., 1995
complex with inhibitor KNI-272 2.00 Å 1HPX 1HPX 1HPX 1HPX 1HPX 1HPX Baldwin et al., 1995
complex with L-735,524 2.00 Å 1HSG 1HSG 1HSG 1HSG 1HSG 1HSG Chen et al., 1994
complex with GR123976 2.80 Å 1HTE 1HTE 1HTE 1HTE 1HTE 1HTE Jhoti et al., 1994
complex with GR126045 2.20 Å 1HTF 1HTF 1HTF 1HTF 1HTF 1HTF Jhoti et al., 1994
complex with GR137615 2.00 Å 1HTG 1HTG 1HTG 1HTG 1HTG 1HTG Jhoti et al., 1994
complex with A-76928 1.80 Å 1HVC 1HVC 1HVC 1HVC 1HVC 1HVC Bhat et al., 1994
complex with Q8261 inhibitor 1.80 Å 1HVH 1HVH 1HVH 1HVH 1HVH 1HVH Jadhav et al., 1998
complex with A77003 1.80 Å 1HVI 1HVI 1HVI 1HVI 1HVI 1HVI
complex with A78791 2.00 Å 1HVJ 1HVJ 1HVJ 1HVJ 1HVJ 1HVJ
complex with A-76928 1.80 Å 1HVK 1HVK 1HVK 1HVK 1HVK 1HVK
complex with A76889 1.80 Å 1HVL 1HVL 1HVL 1HVL 1HVL 1HVL
theoretical model 0.00 Å 1HVP 1HVP 1HVP 1HVP 1HVP 1HVP
complex with XK263 1.80 Å 1HVR 1HVR 1HVR 1HVR 1HVR 1HVR Lam et al., 1994
Val82Ala mutant; complex with A77003 2.25 Å 1HVS 1HVS 1HVS 1HVS 1HVS 1HVS Baldwin et al., 1995
complex with synthetic cyclic urea inhibitor XK216 1.80 Å 1HWR 1HWR 1HWR 1HWR 1HWR 1HWR Ala et al., 1998
complex with RO 31-8959 2.30 Å 1HXB 1HXB 1HXB 1HXB 1HXB 1HXB Krohn et al., 1991
complex with A-84538 1.80 Å 1HXW 1HXW 1HXW 1HXW 1HXW 1HXW Kempf et al., 1995
mature  peptidase 0.00 Å 1IHV 1IHV 1IHV 1IHV 1IHV 1IHV Lodi et al., 1995
mature  peptidase 0.00 Å 1IHW 1IHW 1IHW 1IHW 1IHW 1IHW Lodi et al., 1995
complex with hydroxyethylamine peptidomimetic inhibitor Boc-Pso-Phe-Gln-Phe-NH2 1.83 Å 1IIQ 1IIQ 1IIQ 1IIQ 1IIQ 1IIQ Dohnalek et al., 2002
complex with inhibitor Q50 1.90 Å 1IZH 1IZH 1IZH 1IZH 1IZH 1IZH Weber et al., 2002
complex with inhibitor Q50 2.15 Å 1IZI 1IZI 1IZI 1IZI 1IZI 1IZI Weber et al., 2002
engineered multiple mutant form 1.20 Å 1K1T 1K1T 1K1T 1K1T 1K1T 1K1T Mahalingam et al., 2002
engineered multiple mutant form 1.55 Å 1K1U 1K1U 1K1U 1K1U 1K1U 1K1U Mahalingam et al., 2002
engineered multiple mutant form 1.70 Å 1K2B 1K2B 1K2B 1K2B 1K2B 1K2B Mahalingam et al., 2002
engineered multiple mutant form 2.20 Å 1K2C 1K2C 1K2C 1K2C 1K2C 1K2C Mahalingam et al., 2002
complex with inhibitor MK1 2.20 Å 1K6C 1K6C 1K6C 1K6C 1K6C 1K6C King et al., 2002
complex with inhibitor XN3 2.20 Å 1K6P 1K6P 1K6P 1K6P 1K6P 1K6P King et al., 2002
complex with inhibitor XN1 2.25 Å 1K6T 1K6T 1K6T 1K6T 1K6T 1K6T King et al., 2002
complex with inhibitor XN2 2.00 Å 1K6V 1K6V 1K6V 1K6V 1K6V 1K6V King et al., 2002
complex with GAG protein fragment 2.90 Å 1KJ4 1KJ4 1KJ4 1KJ4 1KJ4 1KJ4 Prabu-Jeyabalan et al., 2002
complex with GAG protein fragment 2.00 Å 1KJ7 1KJ7 1KJ7 1KJ7 1KJ7 1KJ7 Prabu-Jeyabalan et al., 2002
complex with GAG protein fragment 2.00 Å 1KJF 1KJF 1KJF 1KJF 1KJF 1KJF Prabu-Jeyabalan et al., 2002
complex with decapeptide substrate 2.00 Å 1KJG 1KJG 1KJG 1KJG 1KJG 1KJG Prabu-Jeyabalan et al., 2002
complex with POL protein fragment 2.00 Å 1KJH 1KJH 1KJH 1KJH 1KJH 1KJH Prabu-Jeyabalan et al., 2002
complex with inhibitor JE-2147 1.09 Å 1KZK 1KZK 1KZK 1KZK 1KZK 1KZK Reiling et al., 2002
engineered tethered dimer 2.10 Å 1LV1 1LV1 1LV1 1LV1 1LV1 1LV1 Kumar et al., 2002
Ala71Val, Val82Thr, Ile84Val mutant; complex with Boc-Phe-Psi[CH2CH2NH]-Phe-Glu-Phe-NH2 2.20 Å 1LZQ 1LZQ 1LZQ 1LZQ 1LZQ 1LZQ Skalova et al., 2003
complex with Boc-Phe-Psi[CH2CH2NH]-Phe-Glu-Phe-NH2 2.45 Å 1M0B 1M0B 1M0B 1M0B 1M0B 1M0B Petrokova et al., 2004
complex with DMP450 1.90 Å 1MER 1MER 1MER 1MER 1MER 1MER Ala et al., 1997
Ile84Val mutant; complex with DMP323 1.90 Å 1MES 1MES 1MES 1MES 1MES 1MES Ala et al., 1997
Val82Phe mutant; complex with DMP323 1.90 Å 1MET 1MET 1MET 1MET 1MET 1MET Ala et al., 1997
Val82Phe, Ile84Val mutant; complex with DMP323 1.90 Å 1MEU 1MEU 1MEU 1MEU 1MEU 1MEU Ala et al., 1997
Gln7lys/Leu33Ile/Leu63Ile mutant; complex with kni-577 2.00 Å 1MRW 1MRW 1MRW 1MRW 1MRW 1MRW Vega et al., 2004
mutant q7k l33i l63i v82f i84v; complex with kni-577 2.00 Å 1MRX 1MRX 1MRX 1MRX 1MRX 1MRX Vega et al., 2004
Gln7Lys, Leu33Ile, Leu63Ile mutant; complex with KNI-764 inhibitor 2.00 Å 1MSM 1MSM 1MSM 1MSM 1MSM 1MSM Vega et al., 2004
Gln7Lys, Leu33Ile, Leu63Ile, Val82Phe, Ile84Valmutant; complex with KNI-764 inhibitor 2.00 Å 1MSN 1MSN 1MSN 1MSN 1MSN 1MSN Vega et al., 2004
complex with GAG protein fragment 1.90 Å 1MT7 1MT7 1MT7 1MT7 1MT7 1MT7 Prabu-Jeyabalan et al., 2003
complex with GAG protein fragment 2.15 Å 1MT8 1MT8 1MT8 1MT8 1MT8 1MT8 Prabu-Jeyabalan et al., 2003
complex with GAG protein fragment 2.00 Å 1MT9 1MT9 1MT9 1MT9 1MT9 1MT9 Prabu-Jeyabalan et al., 2003
complex with Saquinavir 2.50 Å 1MTB 1MTB 1MTB 1MTB 1MTB 1MTB Prabu-Jeyabalan et al., 2003
complex with a cyclic Phe-Ile-Val peptidomimetic inhibitor 1.75 Å 1MTR 1MTR 1MTR 1MTR 1MTR 1MTR
complex with lopinavir 2.80 Å 1MUI 1MUI 1MUI 1MUI 1MUI 1MUI Stoll et al., 2002
complex with Ritonavir 2.20 Å 1N49 1N49 1N49 1N49 1N49 1N49 Prabu-Jeyabalan et al., 2003
1.03 a structure of hiv-1 protease: inhibitor binding inside and outside the active site 1.03 Å 1NH0 1NH0 1NH0 1NH0 1NH0 1NH0 Brynda et al., 2004
complex with LDC271 2.00 Å 1NPV 1NPV 1NPV 1NPV 1NPV 1NPV Smith et al., 2003
complex with inhibitor LGZ479 2.00 Å 1NPW 1NPW 1NPW 1NPW 1NPW 1NPW Smith et al., 2003
mature  peptidase 2.10 Å 1ODW 1ODW 1ODW 1ODW 1ODW 1ODW
Ala71Thr, Val82Ala mutant 2.00 Å 1ODX 1ODX 1ODX 1ODX 1ODX 1ODX
complex with inhibitor LP-130 2.00 Å 1ODY 1ODY 1ODY 1ODY 1ODY 1ODY Kervinen et al., 1998
complex with nelfinavir mesylate AG1343 inhibitor 2.10 Å 1OHR 1OHR 1OHR 1OHR 1OHR 1OHR Kaldor et al., 1997
dimer; complex with A-98881 1.80 Å 1PRO 1PRO 1PRO 1PRO 1PRO 1PRO Sham et al., 1996
complex with inhibitor XV638 1.80 Å 1QBR 1QBR 1QBR 1QBR 1QBR 1QBR Jadhav et al., 1997
complex with inhibitor DMP323 1.80 Å 1QBS 1QBS 1QBS 1QBS 1QBS 1QBS Lam et al., 1996
complex with inhibitor SD146 2.10 Å 1QBT 1QBT 1QBT 1QBT 1QBT 1QBT Jadhav et al., 1997
complex with inhibitor Q8467 (Dupont-Merck) 1.80 Å 1QBU 1QBU 1QBU 1QBU 1QBU 1QBU Jadhav et al., 1997
resistant strain (Val82Ala mutant); complex with ritonavir 2.00 Å 1RL8 1RL8 1RL8 1RL8 1RL8 1RL8
multidrug-resistant hiv-1 protease 2.70 Å 1RV7 1RV7 1RV7 1RV7 1RV7 1RV7 Logsdon et al., 2004
complex with SB203386 2.30 Å 1SBG 1SBG 1SBG 1SBG 1SBG 1SBG Abdel-Meguid et al., 1994
Val82Ala and Ile90Met mutant; complex with indinavir 1.30 Å 1SDT 1SDT 1SDT 1SDT 1SDT 1SDT Mahalingam et al., 2004
Val82Ala and Ile90Met mutant 1.25 Å 1SDU 1SDU 1SDU 1SDU 1SDU 1SDU Mahalingam et al., 2004
Val82Ala and Ile90Met mutant 1.40 Å 1SDV 1SDV 1SDV 1SDV 1SDV 1SDV Mahalingam et al., 2004
comparing the accumulation of active site and non-active site mutations in the hiv-1 protease 1.90 Å 1SGU 1SGU 1SGU 1SGU 1SGU 1SGU Clemente et al., 2004
comparing the accumulation of active site and non-active site mutations in the hiv-1 protease 2.50 Å 1SH9 1SH9 1SH9 1SH9 1SH9 1SH9 Clemente et al., 2004
complex with a product of autoproteolysis 1.80 Å 1SP5 1SP5 1SP5 1SP5 1SP5 1SP5
complex with TMC114 inhibitor 1.20 Å 1T3R 1T3R 1T3R 1T3R 1T3R 1T3R Surleraux et al., 2005
triple mutant; complex with SB203386 2.30 Å 1TCX 1TCX 1TCX 1TCX 1TCX 1TCX Hoog et al., 1996
Val82Ala/Asp25Asn mutant; complex with AP2V substrate variant of NC-P1 decamer peptide 2.00 Å 1TSQ 1TSQ 1TSQ 1TSQ 1TSQ 1TSQ Prabu-Jeyabalan et al., 2004
Val82Ala/Asp25Asn mutant; complex with AP2V substrate variant of NC-P1 decamer peptide 2.00 Å 1TSQ 1TSQ 1TSQ 1TSQ 1TSQ 1TSQ Prabu-Jeyabalan et al., 2004
wild-type Asp25Asn variant; complex with decamer NCP1 substrate peptide 2.10 Å 1TSU 1TSU 1TSU 1TSU 1TSU 1TSU Prabu-Jeyabalan et al., 2004
wild-type Asp25Asn variant; complex with decamer NCP1 substrate peptide 2.10 Å 1TSU 1TSU 1TSU 1TSU 1TSU 1TSU Prabu-Jeyabalan et al., 2004
peptidase domain only; multi-drug resistant isolate 1.30 Å 1TW7 1TW7 1TW7 1TW7 1TW7 1TW7 Martin et al., 2005
complex with peptidomimetic inhibitor KI2-Phe-Glu-Glu-NH2 2.20 Å 1U8G 1U8G 1U8G 1U8G 1U8G 1U8G Brynda et al., 2004
complex with [3-[1-(4-bromophenyl)isobutyl]-4-hydroxycoumarin (U095438) 2.22 Å 1UPJ 1UPJ 1UPJ 1UPJ 1UPJ 1UPJ Thaisrivongs et al., 1995
complex with HOE/BAY 793 inhibitor 2.40 Å 1VIJ 1VIJ 1VIJ 1VIJ 1VIJ 1VIJ Lange-Savage et al., 1997
compex with HOE/BAY 793 inhibitor, orthorhombic form 2.40 Å 1VIK 1VIK 1VIK 1VIK 1VIK 1VIK Lange-Savage et al., 1997
complex with fluoro substituted diol- based c2-symmetric inhibitor N,N-[2,5-O-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] 1.80 Å 1W5V 1W5V 1W5V 1W5V 1W5V 1W5V Lindberg et al., 2004
complex with fluoro substituted diol- based c2-symmetric inhibitor (2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide 1.80 Å 1W5W 1W5W 1W5W 1W5W 1W5W 1W5W Lindberg et al., 2004
complex with fluoro substituted diol- based c2-symmetric inhibitor (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide 1.90 Å 1W5X 1W5X 1W5X 1W5X 1W5X 1W5X Lindberg et al., 2004
complex with fluoro substituted diol- based c2-symmetric inhibitor (2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide 1.90 Å 1W5Y 1W5Y 1W5Y 1W5Y 1W5Y 1W5Y Lindberg et al., 2004
complex with asymmetric inhibitor BEA568 2.00 Å 1WBK 1WBK 1WBK 1WBK 1WBK 1WBK Oscarsson et al., 2003
complex with symmetric inhibitor BEA450 2.00 Å 1WBM 1WBM 1WBM 1WBM 1WBM 1WBM Muhlman et al., 2001
complex with pyrrolidinmethanamine 1.50 Å 1XL2 1XL2 1XL2 1XL2 1XL2 1XL2 Specker et al., 2005
complex with amidhyroxysulfone 1.73 Å 1XL5 1XL5 1XL5 1XL5 1XL5 1XL5 Specker et al., 2005
complex with Pro-Ile-Val-NH2 peptide product 2.30 Å 1YTG 1YTG 1YTG 1YTG 1YTG 1YTG Rose et al., 1996
complex with ac-Ser-Leu-Asn-Phe peptide product 2.20 Å 1YTH 1YTH 1YTH 1YTH 1YTH 1YTH Rose et al., 1996
complex with macrocyclic peptidomimetic inhibitor 3 1.85 Å 1Z1H 1Z1H 1Z1H 1Z1H 1Z1H 1Z1H Martin et al., 1999
complex with macrocyclic peptidomimetic inhibitor 2 1.85 Å 1Z1R 1Z1R 1Z1R 1Z1R 1Z1R 1Z1R Martin et al., 1999
lle63Pro, Ala71Val, Val82Thr, Ile84Val mutant; complex with a hydroxyethylamine peptidomimetic inhibitor Boc-Phe-psi[r-CH(OH)CH2NH]-Phe-Glu-Phe-NH2 2.20 Å 1Z8C 1Z8C 1Z8C 1Z8C 1Z8C 1Z8C
Ala71Val, Val82Thr, Ile84Val mutant; complex with a hydroxyethylamine peptidomimetic inhibitor Boc-Phe-psi[r-CH(OH)CH2NH]-Phe-Glu-Phe-NH2 2.00 Å 1ZBG 1ZBG 1ZBG 1ZBG 1ZBG 1ZBG
Ala71Val, Val82Thr, Ile84Val mutant; complex with a hydroxyethylamine peptidomimetic inhibitor Boc-Phe-psi[r-CH(OH)CH2NH]-Phe-Glu-Phe-NH2 1.93 Å 1ZJ7 1ZJ7 1ZJ7 1ZJ7 1ZJ7 1ZJ7 Skalova et al., 2006
Ala71Val, Val82Thr, Ile84Val mutant; complex with a hydroxyethylamine peptidomimetic inhibitor 2.30 Å 1ZLF 1ZLF 1ZLF 1ZLF 1ZLF 1ZLF Skalova et al., 2006
Ala71Val, Val82Thr, Ile84Val mutant; complex with a hydroxyethylamine peptidomimetic inhibitor Boc-Phe-psi[r-CH(OH)CH2NH]-Phe-Glu-Phe-NH2 1.65 Å 1ZPK 1ZPK 1ZPK 1ZPK 1ZPK 1ZPK
complex with a hydroxyethylamine inhibitor N-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide 1.98 Å 1ZSF 1ZSF 1ZSF 1ZSF 1ZSF 1ZSF Duskova et al., 2006
complex with a hydroxyethylamine peptidomimetic inhibitor Boc-Phe-psi[r-CH(OH)CH2NH]-Phe-Glu-Phe-NH2 2.06 Å 1ZSR 1ZSR 1ZSR 1ZSR 1ZSR 1ZSR Duskova et al., 2006
complex with cobalt bis(1,2-dicarbollide) 2.15 Å 1ZTZ 1ZTZ 1ZTZ 1ZTZ 1ZTZ 1ZTZ Cigler et al., 2005
complex with ts-126 1.30 Å 2A1E 2A1E 2A1E 2A1E 2A1E 2A1E Geremia et al., 2006
synthesis and activity of n-axyl azacyclic urea hiv-1 protease inhibitors with high potency against multiple drug resistant viral strains. 1.90 Å 2A4F 2A4F 2A4F 2A4F 2A4F 2A4F Zhao et al., 2005
complex with UCSF8 inhibitor 1.90 Å 2AID 2AID 2AID 2AID 2AID 2AID Rutenber et al., 1993
Ile84Val mutant; complex with a substrate analog p2-nc 1.30 Å 2AOC 2AOC 2AOC 2AOC 2AOC 2AOC
complex with a substrate analog p2-nc 1.40 Å 2AOD 2AOD 2AOD 2AOD 2AOD 2AOD
Val82Ala mutant; complex with a substrate analog ca-p2 1.54 Å 2AOE 2AOE 2AOE 2AOE 2AOE 2AOE
Val82Ala mutant; complex with a substrate analog p1-p6 1.32 Å 2AOF 2AOF 2AOF 2AOF 2AOF 2AOF
Val82Ala mutant; complex with a substrate analog p2-nc 1.10 Å 2AOG 2AOG 2AOG 2AOG 2AOG 2AOG
Val82Ala mutant; complex with a substrate analog p6-pr 1.42 Å 2AOH 2AOH 2AOH 2AOH 2AOH 2AOH
complex with a substrate analog p1-p6 1.40 Å 2AOI 2AOI 2AOI 2AOI 2AOI 2AOI
complex with a substrate analog p6-pr 1.60 Å 2AOJ 2AOJ 2AOJ 2AOJ 2AOJ 2AOJ
complex with atazanavir 2.00 Å 2AQU 2AQU 2AQU 2AQU 2AQU 2AQU Clemente et al., 2006
kinetics, stability, and structural changes in high resolution crystalstructures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s 1.10 Å 2AVM 2AVM 2AVM 2AVM 2AVM 2AVM
kinetics, stability, and structural changes in high resolution crystalstructures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s 1.10 Å 2AVO 2AVO 2AVO 2AVO 2AVO 2AVO
kinetics, stability, and structural changes in high resolution crystalstructures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s 1.30 Å 2AVQ 2AVQ 2AVQ 2AVQ 2AVQ 2AVQ
kinetics, stability, and structural changes in high resolution crystal structures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s 1.10 Å 2AVS 2AVS 2AVS 2AVS 2AVS 2AVS
kinetics, stability, and structural changes in high resolution crystal structures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s 1.50 Å 2AVV 2AVV 2AVV 2AVV 2AVV 2AVV
ML4-3 mutant; complex with inhibitorTL3 2.00 Å 2AZ8 2AZ8 2AZ8 2AZ8 2AZ8 2AZ8 Heaslet et al., 2006
hiv-1 protease nl4-3 1x mutant 2.50 Å 2AZ9 2AZ9 2AZ9 2AZ9 2AZ9 2AZ9 Heaslet et al., 2006
NL4-3 3X mutant; complex with inhibitorTL-3 2.03 Å 2AZB 2AZB 2AZB 2AZB 2AZB 2AZB Heaslet et al., 2006
hiv-1 protease nl4-3 6x mutant ***caveat 2azc incorrect chirality at ca of ala j 201 2.01 Å 2AZC 2AZC 2AZC 2AZC 2AZC 2AZC Heaslet et al., 2006
complex with ritonavir 2.20 Å 2B60 2B60 2B60 2B60 2B60 2B60
mutant; complex with indinavir 2.20 Å 2B7Z 2B7Z 2B7Z 2B7Z 2B7Z 2B7Z
complex with akc4p_133a 1.35 Å 2BB9 2BB9 2BB9 2BB9 2BB9 2BB9 Smith et al., 2006
complex with hh1_173_3a 1.70 Å 2BBB 2BBB 2BBB 2BBB 2BBB 2BBB Smith et al., 2006
complex with L-738,317 inhibitor 1.90 Å 2BPV 2BPV 2BPV 2BPV 2BPV 2BPV Munshi et al., 1998
complex with L-738,317 inhibitor 1.90 Å 2BPW 2BPW 2BPW 2BPW 2BPW 2BPW Munshi et al., 1998
complex with L-735,524 inhibitor 1.90 Å 2BPX 2BPX 2BPX 2BPX 2BPX 2BPX Munshi et al., 1998
complex with L-739,622 inhibitor 1.90 Å 2BPY 2BPY 2BPY 2BPY 2BPY 2BPY Munshi et al., 1998
complex with L-739,622 inhibitor 2.50 Å 2BPZ 2BPZ 2BPZ 2BPZ 2BPZ 2BPZ Munshi et al., 1998
complex with inhibitor AHA455 2.10 Å 2BQV 2BQV 2BQV 2BQV 2BQV 2BQV Ekegren et al., 2005
wild-type; complex with r01 1.60 Å 2F3K 2F3K 2F3K 2F3K 2F3K 2F3K Prabu-Jeyabalan et al., 2006
Asp30Asn mutant; complex with inhibitor TMC114 1.45 Å 2F80 2F80 2F80 2F80 2F80 2F80
Leu90Met mutant; complex with inhibitor TMC114 1.25 Å 2F81 2F81 2F81 2F81 2F81 2F81
Ile50Val mutant; complex with inhibitor TMC114 1.22 Å 2F8G 2F8G 2F8G 2F8G 2F8G 2F8G
Thr80Ser variant; complex with the inhibitor saquinavir 2.00 Å 2FGU 2FGU 2FGU 2FGU 2FGU 2FGU Foulkes et al., 2006
Thrt80Asn variant; complex with the inhibitor saquinavir 1.50 Å 2FGV 2FGV 2FGV 2FGV 2FGV 2FGV Foulkes et al., 2006
Asp25Asn mutant; complex with wild-type HIV-1 NC-P1 substrate. 1.85 Å 2FNS 2FNS 2FNS 2FNS 2FNS 2FNS Prabu-Jeyabalan et al., 2006
drug-resistant (Val82Ala) inactive (Asp25Asn) mutant; complex with AP2V variant of hiv-1 NC-P1 substrate. 1.44 Å 2FNT 2FNT 2FNT 2FNT 2FNT 2FNT Prabu-Jeyabalan et al., 2006
structure of hiv protease 6x mutant in apo form 2.30 Å 2HB2 2HB2 2HB2 2HB2 2HB2 2HB2 Heaslet et al., 2007
complex with potent inhibitor GRL06579 1.35 Å 2HB3 2HB3 2HB3 2HB3 2HB3 2HB3 Ghosh et al., 2006
structure of hiv protease nl4-3 in an unliganded state 2.15 Å 2HB4 2HB4 2HB4 2HB4 2HB4 2HB4 Heaslet et al., 2007
6x mutant; complex with AB-2. 1.30 Å 2HC0 2HC0 2HC0 2HC0 2HC0 2HC0
recombinant 3.00 Å 2HVP 2HVP 2HVP 2HVP 2HVP 2HVP Navia et al., 1989
complex with KB-19 1.80 Å 2I0A 2I0A 2I0A 2I0A 2I0A 2I0A Ali et al., 2006
complex with AD-81 1.95 Å 2I0D 2I0D 2I0D 2I0D 2I0D 2I0D Ali et al., 2006
complex with inhibitor jg-365 1.04 Å 2J9J 2J9J 2J9J 2J9J 2J9J 2J9J Johnson et al., 2007
complex with inhibitor MVT-101 1.20 Å 2J9K 2J9K 2J9K 2J9K 2J9K 2J9K Johnson et al., 2007
complex with jg-365 1.07 Å 2JE4 2JE4 2JE4 2JE4 2JE4 2JE4 Johnson et al., 2007
Val82Ala mutant; complex with a inhibitor saquinavir 1.10 Å 2NMY 2NMY 2NMY 2NMY 2NMY 2NMY
Val82Ala mutant; complex with a inhibitor saquinavir 0.97 Å 2NMZ 2NMZ 2NMZ 2NMZ 2NMZ 2NMZ
Ile84Val mutant; complex with a inhibitor saquinavir 1.25 Å 2NNK 2NNK 2NNK 2NNK 2NNK 2NNK
Ile84Val mutant; complex with a inhibitor saquinavir 1.20 Å 2NNP 2NNP 2NNP 2NNP 2NNP 2NNP
complex with product in situ 1.65 Å 2NPH 2NPH 2NPH 2NPH 2NPH 2NPH Das et al., 2006
Asp25Asn mutant; complex with rt-rh analogue peptide gly-ala-asp-ile-phe*tyr-leu-asp-gly-ala 2.00 Å 2NXD 2NXD 2NXD 2NXD 2NXD 2NXD Altman et al., 2008
Asp25Asn mutant; complex with peptide Gly-Ala-Glu-Val-Phe*Tyr-Val-Asp-Gly-Ala 2.00 Å 2NXL 2NXL 2NXL 2NXL 2NXL 2NXL Altman et al., 2008
Asp25Asn mutant; complex with the rt-rh analogue peptide gly-ala-gln-thr-phe*tyr-val-asp-gly-ala 2.25 Å 2NXM 2NXM 2NXM 2NXM 2NXM 2NXM Altman et al., 2008
Gln7Lys mutant; complex with Atazanavir 1.60 Å 2O4K 2O4K 2O4K 2O4K 2O4K 2O4K Muzammil et al., 2007
Gln7Lys, Ile50Val mutant; complex with Tipranavir 1.33 Å 2O4L 2O4L 2O4L 2O4L 2O4L 2O4L Muzammil et al., 2007
TRM mutant; complex with Tipranavir 2.00 Å 2O4N 2O4N 2O4N 2O4N 2O4N 2O4N Muzammil et al., 2007
Gln7Lys mutant; complex with Tipranavir 1.80 Å 2O4P 2O4P 2O4P 2O4P 2O4P 2O4P Muzammil et al., 2007
Gln7Lys mutant; complex with Lopinavir 1.54 Å 2O4S 2O4S 2O4S 2O4S 2O4S 2O4S Muzammil et al., 2007
complex with TL-3 inhibitor 2.10 Å 2P3B 2P3B 2P3B 2P3B 2P3B 2P3B Sanches et al., 2007
subtype F; complex with TL-3 inhibitor 2.10 Å 2P3C 2P3C 2P3C 2P3C 2P3C 2P3C Sanches et al., 2007
multi-drug resistant mutant subtype F; complex with TL-3 inhibitor 2.80 Å 2P3D 2P3D 2P3D 2P3D 2P3D 2P3D Sanches et al., 2007
apo wild-type hiv protease in the open conformation 1.40 Å 2PC0 2PC0 2PC0 2PC0 2PC0 2PC0 Heaslet et al., 2007
Gln7Lys, Leu33Ile, Leu63Ile mutant; complex with KNI-10075 1.90 Å 2PK5 2PK5 2PK5 2PK5 2PK5 2PK5 Lafont et al., 2007
Gln7Lys, Leu33Ile, Leu63Ile mutant; complex with KNI-10033 1.45 Å 2PK6 2PK6 2PK6 2PK6 2PK6 2PK6 Lafont et al., 2007
complex with N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide) 1.55 Å 2PQZ 2PQZ 2PQZ 2PQZ 2PQZ 2PQZ Blum et al., 2008
complex with CARB-AD37 1.93 Å 2PSU 2PSU 2PSU 2PSU 2PSU 2PSU Chellappan et al., 2007
complex with CARB-KB45 1.75 Å 2PSV 2PSV 2PSV 2PSV 2PSV 2PSV Chellappan et al., 2007
complex with N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide) 1.78 Å 2PWC 2PWC 2PWC 2PWC 2PWC 2PWC Blum et al., 2008
complex with 4,4'-(3S,4S)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]dibenzamide 1.50 Å 2PWR 2PWR 2PWR 2PWR 2PWR 2PWR Blum et al., 2008
mutant; complex with nelfinavir 1.90 Å 2PYM 2PYM 2PYM 2PYM 2PYM 2PYM Kozisek et al., 2007
mutant; complex with Nelfinavir 1.85 Å 2PYN 2PYN 2PYN 2PYN 2PYN 2PYN Kozisek et al., 2007
complex with a lysine sulfonamide inhibitor 2.00 Å 2Q3K 2Q3K 2Q3K 2Q3K 2Q3K 2Q3K Nalam et al., 2007
complex with KB73 1.85 Å 2Q54 2Q54 2Q54 2Q54 2Q54 2Q54 Reddy et al., 2007
complex with KK44 1.90 Å 2Q55 2Q55 2Q55 2Q55 2Q55 2Q55 Reddy et al., 2007
complex with lopinavir 1.95 Å 2Q5K 2Q5K 2Q5K 2Q5K 2Q5K 2Q5K Reddy et al., 2007
mutant; complex with nelfinavir 2.20 Å 2Q63 2Q63 2Q63 2Q63 2Q63 2Q63 Kozisek et al., 2007
mutant; complex with nelfinavir 2.50 Å 2Q64 2Q64 2Q64 2Q64 2Q64 2Q64 Kozisek et al., 2007
mutant; complex with nelfinavir 2.20 Å 2QAK 2QAK 2QAK 2QAK 2QAK 2QAK
hiv-1 protease mutant d30n with potent antiviral inhibitor grl-98065 1.20 Å 2QCI 2QCI 2QCI 2QCI 2QCI 2QCI Wang et al., 2007
hiv-1 protease mutant i50v with potent antiviral inhibitor grl-98065 1.28 Å 2QD6 2QD6 2QD6 2QD6 2QD6 2QD6 Wang et al., 2007
hiv-1 protease mutant v82a with potent antiviral inhibitor grl-98065 1.11 Å 2QD7 2QD7 2QD7 2QD7 2QD7 2QD7 Wang et al., 2007
hiv-1 protease mutant i84v with potent antiviral inhibitor grl-98065 1.35 Å 2QD8 2QD8 2QD8 2QD8 2QD8 2QD8 Wang et al., 2007
the influence of i47a mutation on reduced susceptibility to the protease inhibitor lopinavir 2.80 Å 2QHC 2QHC 2QHC 2QHC 2QHC 2QHC Saskova et al., 2008
complex with inhibitor MIT-1-AC6 1.85 Å 2QHY 2QHY 2QHY 2QHY 2QHY 2QHY Altman et al., 2008
complex with inhibitor MIT-1-AC87 1.85 Å 2QHZ 2QHZ 2QHZ 2QHZ 2QHZ 2QHZ Altman et al., 2008
complex with inhibitor MIT-1-KK80 2.10 Å 2QI0 2QI0 2QI0 2QI0 2QI0 2QI0 Altman et al., 2008
complex with inhibitor MIT-1-KK81 2.00 Å 2QI1 2QI1 2QI1 2QI1 2QI1 2QI1 Altman et al., 2008
complex with inhibitor MIT-2-AD94 1.95 Å 2QI3 2QI3 2QI3 2QI3 2QI3 2QI3 Altman et al., 2008
complex with inhibitor MIT-2-AD93 1.80 Å 2QI4 2QI4 2QI4 2QI4 2QI4 2QI4 Altman et al., 2008
complex with inhibitor MIT-2-KC08 1.85 Å 2QI5 2QI5 2QI5 2QI5 2QI5 2QI5 Altman et al., 2008
complex with inhibitor MIT-2-KB98 1.85 Å 2QI6 2QI6 2QI6 2QI6 2QI6 2QI6 Altman et al., 2008
complex with inhibitor MIT-2-AD86 1.85 Å 2QI7 2QI7 2QI7 2QI7 2QI7 2QI7 Altman et al., 2008
complex with PL-100 1.80 Å 2QMP 2QMP 2QMP 2QMP 2QMP 2QMP
complex with 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis([4- (trifluoromethyl)benzyl]iminosulfonyl)]dibenzamide 1.48 Å 2QNN 2QNN 2QNN 2QNN 2QNN 2QNN Blum et al., 2008
complex with 1.41 Å 2QNP 2QNP 2QNP 2QNP 2QNP 2QNP
complex with a chloro decorated pyrrolidine-based inhibitor 2.30 Å 2QNQ 2QNQ 2QNQ 2QNQ 2QNQ 2QNQ Blum et al., 2008
i84v hiv-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor 1.81 Å 2R38 2R38 2R38 2R38 2R38 2R38 Bottcher et al., 2008
Ile50Val mutant; complex with a carbamoyl decorated pyrrolidine-based inhibitor 1.80 Å 2R3T 2R3T 2R3T 2R3T 2R3T 2R3T Bottcher et al., 2008
Ile84Val mutant; complex with a amino decorated pyrrolidine-based inhibitor 1.92 Å 2R3W 2R3W 2R3W 2R3W 2R3W 2R3W Bottcher et al., 2008
i50v hiv-1 protease in complex with an amino decorated pyrrolidine-based inhibitor 1.58 Å 2R43 2R43 2R43 2R43 2R43 2R43 Bottcher et al., 2008
subtype c protease; complex with indinavir 2.30 Å 2R5P 2R5P 2R5P 2R5P 2R5P 2R5P Coman et al., 2008
subtype c; complex with nelfinavir 2.30 Å 2R5Q 2R5Q 2R5Q 2R5Q 2R5Q 2R5Q Coman et al., 2008
subtype C 1.20 Å 2R8N 2R8N 2R8N 2R8N 2R8N 2R8N Coman et al., 2008
complex with U100313 3.00 Å 2UPJ 2UPJ 2UPJ 2UPJ 2UPJ 2UPJ Thaisrivongs et al., 1995
two-carbon-elongated hiv-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic 1.75 Å 2UXZ 2UXZ 2UXZ 2UXZ 2UXZ 2UXZ Wu et al., 2008
two-carbon-elongated hiv-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic 1.76 Å 2UY0 2UY0 2UY0 2UY0 2UY0 2UY0 Wu et al., 2008
hiv-1 protease inhibitors containing a tertiary alcohol in the transition-state mimic with improved cell-based antiviral activity 1.70 Å 2WKZ 2WKZ 2WKZ 2WKZ 2WKZ 2WKZ
wild type hiv-1 protease with potent antiviral inhibitor grl-98065 1.60 Å 2Z4O 2Z4O 2Z4O 2Z4O 2Z4O 2Z4O Wang et al., 2007
Ile47Ala mutant on reduced susceptibility to the protease inhibitor lopinavir 2.31 Å 2Z54 2Z54 2Z54 2Z54 2Z54 2Z54
complex with (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)- (3-methyl-but-2-enyl)-amino]-pyrrolidine 1.65 Å 2ZGA 2ZGA 2ZGA 2ZGA 2ZGA 2ZGA Blum et al., 2011
complex with potent inhibitor KNI-272 1.90 Å 2ZYE 2ZYE 2ZYE 2ZYE 2ZYE 2ZYE Adachi et al., 2009
complex with kni-1689 0.88 Å 3A2O 3A2O 3A2O 3A2O 3A2O 3A2O
complex with benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-N-formamidyl]-4-phenyl-butyl]-ammonium 2.50 Å 3AID 3AID 3AID 3AID 3AID 3AID Rutenber et al., 1996
complex with gem-diol-amine tetrahedral intermediate nlltqi 1.46 Å 3B7V 3B7V 3B7V 3B7V 3B7V 3B7V
Ile54Val mutant; complex with gem-diol-amine intermediate nlltqi 1.50 Å 3B80 3B80 3B80 3B80 3B80 3B80
Ile84Val mutant; complex with a pyrrolidine diester 1.82 Å 3BC4 3BC4 3BC4 3BC4 3BC4 3BC4 Bottcher et al., 2008
complex with N,N'-(iminodiethane-2,1-diyl)bis[4-amino- N-(2-methylpropyl)benzenesulfonamide] 1.90 Å 3BGB 3BGB 3BGB 3BGB 3BGB 3BGB Blum et al., 2008
complex with N,N'-(iminodiethane-2,1-diyl)bis(4-amino- N-benzylbenzenesulfonamide) 1.80 Å 3BGC 3BGC 3BGC 3BGC 3BGC 3BGC Blum et al., 2008
complex with a three armed pyrrolidine derivative 1.75 Å 3BHE 3BHE 3BHE 3BHE 3BHE 3BHE
Asp25Asn mutant; complex with p2-nc analog inhibitor 1.05 Å 3BVA 3BVA 3BVA 3BVA 3BVA 3BVA Liu et al., 2005
cystal structure of hiv-1 active site mutant d25n and inhibitor darunavir 1.30 Å 3BVB 3BVB 3BVB 3BVB 3BVB 3BVB Liu et al., 2005
crystal structures of highly constrained substrate and hydrolysis products bound to hiv-1 protease. implications for catalytic mechanism 1.60 Å 3BXR 3BXR 3BXR 3BXR 3BXR 3BXR Martin et al., 1999
crystal structures of highly constrained substrate and hydrolysis products bound to hiv-1 protease. implications for catalytic mechanism 1.60 Å 3BXS 3BXS 3BXS 3BXS 3BXS 3BXS Martin et al., 1999
complex with (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)- (3-methyl-but-2-enyl)-amino]-pyrrolidine (orthorhombic space group) 1.65 Å 3CKT 3CKT 3CKT 3CKT 3CKT 3CKT Blum et al., 2011
effect of flap mutations inhibition by saquinavir and darunavir 1.40 Å 3CYW 3CYW 3CYW 3CYW 3CYW 3CYW
Ile50Val mutant; complex with inhibitor saquinavir 1.20 Å 3CYX 3CYX 3CYX 3CYX 3CYX 3CYX
Ile54Met mutant; complex with inhibitor saquinavir 1.05 Å 3D1X 3D1X 3D1X 3D1X 3D1X 3D1X
Ile54Val mutant; complex with inhibitor saquinavir 1.05 Å 3D1Y 3D1Y 3D1Y 3D1Y 3D1Y 3D1Y
Ile54Met mutant; complex with inhibitor darunavir 1.30 Å 3D1Z 3D1Z 3D1Z 3D1Z 3D1Z 3D1Z
Ile54Val mutant; complex with inhibitor darunavia 1.05 Å 3D20 3D20 3D20 3D20 3D20 3D20
complex with substrate p1-p6 2.80 Å 3D3T 3D3T 3D3T 3D3T 3D3T 3D3T Bandaranayake et al., 2008
wild type hiv-1 protease with potent antiviral inhibitor grl-0255a 1.00 Å 3DJK 3DJK 3DJK 3DJK 3DJK 3DJK Ghosh et al., 2008
wild type hiv-1 protease with potent antiviral inhibitor grl-0105a 1.07 Å 3DK1 3DK1 3DK1 3DK1 3DK1 3DK1 Ghosh et al., 2008
multidrug resistant variant (Leu10Ile/Gly48Val/Ile54Val/Val64Ile/Val82Ala); complex with inhibitor amprenavir (apv) 2.15 Å 3EKP 3EKP 3EKP 3EKP 3EKP 3EKP
multi-drug resistant form (Leu63Pro/Val82Thr/Ile84Val); complex with inhibitor saquinavir (sqv) 2.20 Å 3EKQ 3EKQ 3EKQ 3EKQ 3EKQ 3EKQ
multi-drug resistant variant (Leu10Phe/Gly48Val/Ile54Val/Val64Ile/Val82Ala); complex with darunavir (drv) 1.97 Å 3EKT 3EKT 3EKT 3EKT 3EKT 3EKT
wild type; complex with the inhibitor, amprenavir 1.75 Å 3EKV 3EKV 3EKV 3EKV 3EKV 3EKV
multi-drug resistance variant (Leu10Ile/Gly48Val/Ile54Val/Val64Ile/Val82Ala); complex with the inhibitor atazanavir (atv) in complex with a refer: flap+ in citation. 1.60 Å 3EKW 3EKW 3EKW 3EKW 3EKW 3EKW
wild-type; complex with the inhibitor nelfinavir 1.97 Å 3EKX 3EKX 3EKX 3EKX 3EKX 3EKX
wild-type; complex with the inhibitor, atazanavir 1.80 Å 3EKY 3EKY 3EKY 3EKY 3EKY 3EKY
multi-drug resistant variant (Leu10Ile/Gly48Val/Ile54Val/Val64Ile/Val82Ala); in complex with inhibitor nelfinavir (nfv) 2.00 Å 3EL0 3EL0 3EL0 3EL0 3EL0 3EL0
wild-type; complex with the inhibitor, atazanavir 1.70 Å 3EL1 3EL1 3EL1 3EL1 3EL1 3EL1
drug resistant Ile50Leu/Ala71Val variant; complex with amprenavir (apv) 2.20 Å 3EM3 3EM3 3EM3 3EM3 3EM3 3EM3
drug- resistant Ile50Val/Ala71Val variant; complex with the protease inhibitor atazanavir 2.10 Å 3EM4 3EM4 3EM4 3EM4 3EM4 3EM4
Ile50Leu/Ala71val mutant; complex with inhibitor darunavir 2.10 Å 3EM6 3EM6 3EM6 3EM6 3EM6 3EM6
complex with potent inhibitor KNI-272 0.93 Å 3FX5 3FX5 3FX5 3FX5 3FX5 3FX5 Adachi et al., 2009
hiv protease inhibitors with pseudo-symmetric cores 2.50 Å 3GGA 3GGA 3GGA 3GGA 3GGA 3GGA Degoey et al., 2009
hiv protease, pseudo-symmetric inhibitors 3.09 Å 3GGV 3GGV 3GGV 3GGV 3GGV 3GGV Degoey et al., 2009
hiv protease, pseudo-symmetric inhibitors 2.70 Å 3GGX 3GGX 3GGX 3GGX 3GGX 3GGX Degoey et al., 2009
wild type; complex with inhibitor kb60 1.85 Å 3GI4 3GI4 3GI4 3GI4 3GI4 3GI4
wild type; complex with inhibitor kb62 1.80 Å 3GI5 3GI5 3GI5 3GI5 3GI5 3GI5
wild type; complex with inhibitor ad78 1.84 Å 3GI6 3GI6 3GI6 3GI6 3GI6 3GI6
Cys replaced with alpha-amino-N-butyric acid 2.80 Å 3HVP 3HVP 3HVP 3HVP 3HVP 3HVP Wlodawer et al., 1989
complex with mutant resistant inhibitor uic-98038 1.70 Å 3I7E 3I7E 3I7E 3I7E 3I7E 3I7E
complex with saquinavir 1.39 Å 3K4V 3K4V 3K4V 3K4V 3K4V 3K4V
complex with darunavir 1.95 Å 3LZS 3LZS 3LZS 3LZS 3LZS 3LZS
nelfinavir resistant variant (Asn88Ser); complex with the protease inhibitor darunavir. 1.76 Å 3LZU 3LZU 3LZU 3LZU 3LZU 3LZU
nelfinavir-resistant variant (Asp30Asn/Asn88Asp); complex with darunavir. 2.15 Å 3LZV 3LZV 3LZV 3LZV 3LZV 3LZV
wild-type; complex with inhibitor kc53 1.95 Å 3MXD 3MXD 3MXD 3MXD 3MXD 3MXD
wild-type; complex with inhibitor kc32 1.85 Å 3MXE 3MXE 3MXE 3MXE 3MXE 3MXE
complex with saquinavir:ritonavir 1:1 1.72 Å 3NDT 3NDT 3NDT 3NDT 3NDT 3NDT
complex with saquinavir:ritonavir 1:5 1.25 Å 3NDU 3NDU 3NDU 3NDU 3NDU 3NDU
complex with saquinavir:ritonavir 1:15 1.14 Å 3NDW 3NDW 3NDW 3NDW 3NDW 3NDW
complex with saquinavir:ritonavir 1:50 1.03 Å 3NDX 3NDX 3NDX 3NDX 3NDX 3NDX
wild-type; complex with antiviral drug amprenavir 1.02 Å 3NU3 3NU3 3NU3 3NU3 3NU3 3NU3
Val32Ile mutant; complex with antiviral drug amprenavir 1.20 Å 3NU4 3NU4 3NU4 3NU4 3NU4 3NU4
Ile50Val mutant; complex with antiviral drug amprenavir 1.29 Å 3NU5 3NU5 3NU5 3NU5 3NU5 3NU5
Ile54Met mutant; complex with antiviral drug amprenavir 1.16 Å 3NU6 3NU6 3NU6 3NU6 3NU6 3NU6
Ile54Val mutant; complex with antiviral drug amprenavir 1.85 Å 3NU9 3NU9 3NU9 3NU9 3NU9 3NU9
Ile54Val mutant; complex with antiviral drug amprenavir 1.50 Å 3NUJ 3NUJ 3NUJ 3NUJ 3NUJ 3NUJ
Ile90Met mutant; complex with antiviral drug amprenavir 1.35 Å 3NUO 3NUO 3NUO 3NUO 3NUO 3NUO
wild-type; complex with kd13 1.95 Å 3O99 3O99 3O99 3O99 3O99 3O99
wild-type; complex with kd14 1.90 Å 3O9A 3O9A 3O9A 3O9A 3O9A 3O9A
wild-type; complex with kd25 1.50 Å 3O9B 3O9B 3O9B 3O9B 3O9B 3O9B
wild-type; complex with kd20 1.85 Å 3O9C 3O9C 3O9C 3O9C 3O9C 3O9C
wild-type; complex with kd19 1.85 Å 3O9D 3O9D 3O9D 3O9D 3O9D 3O9D
wild-type; complex with af60 1.50 Å 3O9E 3O9E 3O9E 3O9E 3O9E 3O9E
wild-type; complex with kd27 1.70 Å 3O9F 3O9F 3O9F 3O9F 3O9F 3O9F
wild-type; complex with af53 1.65 Å 3O9G 3O9G 3O9G 3O9G 3O9G 3O9G
wild-type; complex with kd26 1.70 Å 3O9H 3O9H 3O9H 3O9H 3O9H 3O9H
wild-type; complex with af61 1.45 Å 3O9I 3O9I 3O9I 3O9I 3O9I 3O9I
wild-type; complex with oxatricyclic designed inhibitor GRL-0519a 1.27 Å 3OK9 3OK9 3OK9 3OK9 3OK9 3OK9
complex with saquinavir 1.16 Å 3OXC 3OXC 3OXC 3OXC 3OXC 3OXC
Ile50Val, Ala71 variant; complex with the protease inhibitor amprenavir. 1.75 Å 3OXV 3OXV 3OXV 3OXV 3OXV 3OXV
Ile50Val/Ala71Val variant; complex with the protease inhibitor darunavir 1.95 Å 3OXW 3OXW 3OXW 3OXW 3OXW 3OXW
drug- resistant Ile50Val/Ala71Val variant; complex with the protease inhibitor atazanavir 1.65 Å 3OXX 3OXX 3OXX 3OXX 3OXX 3OXX
Leu76Val variant; complex with the protease inhibitor darunavir. 1.76 Å 3OY4 3OY4 3OY4 3OY4 3OY4 3OY4
recombinant 2.70 Å 3PHV 3PHV 3PHV 3PHV 3PHV 3PHV Lapatto et al., 1989
wild type; complex with a substituted bis-tetrahydrofuran inhibitor, GRL-044-10a 1.40 Å 3QAA 3QAA 3QAA 3QAA 3QAA 3QAA
wild-type; complex with tmc310911 1.90 Å 3R4B 3R4B 3R4B 3R4B 3R4B 3R4B
Val32Ile/Ile47Val/Val82Ile mutant; complex with antiviral drug amprenavir 1.26 Å 3S43 3S43 3S43 3S43 3S43 3S43
triple mutant Val32Ile/Ile47Val/Val82Ile; complex with antiviral drug darunavir in space group p212121 1.50 Å 3S53 3S53 3S53 3S53 3S53 3S53
triple mutant Val32Ile/Ile47Val/Val82Ile; complex with antiviral drug darunavir in space group p21212 1.42 Å 3S54 3S54 3S54 3S54 3S54 3S54
triple mutants Val32Ile, Ile47Val, Val82Ile with antiviral drug saquinavir 1.88 Å 3S56 3S56 3S56 3S56 3S56 3S56
discovery of new hiv protease inhibitors with potential for convenientdosing and reduced side effects: a-790742 and a-792611. 2.80 Å 3S85 3S85 3S85 3S85 3S85 3S85
wild-type; complex with ag23 1.65 Å 3SA3 3SA3 3SA3 3SA3 3SA3 3SA3
wild-type; complex with af72 1.80 Å 3SA4 3SA4 3SA4 3SA4 3SA4 3SA4
wild-type; complex with af69 1.65 Å 3SA5 3SA5 3SA5 3SA5 3SA5 3SA5
wild-type; complex with af71 1.75 Å 3SA6 3SA6 3SA6 3SA6 3SA6 3SA6
wild-type; complex with af55 1.50 Å 3SA7 3SA7 3SA7 3SA7 3SA7 3SA7
wild-type; complex with kb83 1.50 Å 3SA8 3SA8 3SA8 3SA8 3SA8 3SA8
wild-type; complex with af68 1.70 Å 3SA9 3SA9 3SA9 3SA9 3SA9 3SA9
wild-type; complex with af77 1.95 Å 3SAA 3SAA 3SAA 3SAA 3SAA 3SAA
wild-type; complex with af78 1.50 Å 3SAB 3SAB 3SAB 3SAB 3SAB 3SAB
wild-type; complex with af80 1.50 Å 3SAC 3SAC 3SAC 3SAC 3SAC 3SAC
complex with TL-3-093 inhibitor 2.00 Å 3TLH 3TLH 3TLH 3TLH 3TLH 3TLH Li et al., 2000
South African wild type subtype c 2.72 Å 3U71 3U71 3U71 3U71 3U71 3U71
wild-type; complex with mkp56 1.78 Å 4DJO 4DJO 4DJO 4DJO 4DJO 4DJO
wild-type; complex with mkp73 1.40 Å 4DJP 4DJP 4DJP 4DJP 4DJP 4DJP
wild-type; complex with mkp86 1.40 Å 4DJQ 4DJQ 4DJQ 4DJQ 4DJQ 4DJQ
wild-type; complex with mkp97 1.55 Å 4DJR 4DJR 4DJR 4DJR 4DJR 4DJR
hiv protease (pr) dimer with acetate in exo site and peptide in activesite 1.54 Å 4E43 4E43 4E43 4E43 4E43 4E43
apo hiv protease (pr) dimer in closed form with fragment 1f1 in the outside/top of flap 2.35 Å 4EJ8 4EJ8 4EJ8 4EJ8 4EJ8 4EJ8
dimer in closed form with pepstatin in active site and fragment 1f1 in the outside/top of flap 1.10 Å 4EJD 4EJD 4EJD 4EJD 4EJD 4EJD
dimer in closed form with pepstatin in active site and fragment 1f1-n in the outside/top of flap 1.79 Å 4EJK 4EJK 4EJK 4EJK 4EJK 4EJK
apo hiv protease (pr) dimer in closed form with fragment 1f1-n in the outside/top of flap 2.45 Å 4EJL 4EJL 4EJL 4EJL 4EJL 4EJL
inactive single chain wild-type; complex with the substrate rt-rh 1.90 Å 4EP2 4EP2 4EP2 4EP2 4EP2 4EP2
inactive single chain wild-type; complex with the substrate rt-rh 1.90 Å 4EP2 4EP2 4EP2 4EP2 4EP2 4EP2
inactive single chain variant; complex with the substrate ca-p2 1.81 Å 4EP3 4EP3 4EP3 4EP3 4EP3 4EP3
inactive single chain variant; complex with the substrate p2-nc 1.69 Å 4EPJ 4EPJ 4EPJ 4EPJ 4EPJ 4EPJ
inactive single chain variant; complex with the substrate p2-nc 1.70 Å 4EQ0 4EQ0 4EQ0 4EQ0 4EQ0 4EQ0
inactive single chain variant; complex with the substrate rt-rh 1.80 Å 4EQJ 4EQJ 4EQJ 4EQJ 4EQJ 4EQJ
inactive single chain variant; complex with the substrate rt-rh 1.80 Å 4EQJ 4EQJ 4EQJ 4EQJ 4EQJ 4EQJ
complex with the n terminal product of ca-p2 cleavage site 1.90 Å 4F73 4F73 4F73 4F73 4F73 4F73
complex with the n terminal product of the substrate ma-ca. 2.20 Å 4F74 4F74 4F74 4F74 4F74 4F74
complex with the n terminal product of the substrate rh-in 1.70 Å 4F75 4F75 4F75 4F75 4F75 4F75
complex with the products of p1-p6 substrate 1.85 Å 4F76 4F76 4F76 4F76 4F76 4F76
complex with N-Ac-Thr-Ile-Nle-PSI(CH2-NH)-Nle-Gln-Arg amide 2.30 Å 4HVP 4HVP 4HVP 4HVP 4HVP 4HVP Miller et al., 1989
tl-3 inhibited trp6ala hiv protease 2.31 Å 4K4P 4K4P 4K4P 4K4P 4K4P 4K4P
tl-3 inhibited trp6ala hiv protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site ***caveat 4k4q chirality error on c10 center of 3tl 108 a 1.80 Å 4K4Q 4K4Q 4K4Q 4K4Q 4K4Q 4K4Q
tl-3 inhibited trp6ala hiv protease with 1-bromo-2-napthoic acid boundin exosite 1.80 Å 4K4R 4K4R 4K4R 4K4R 4K4R 4K4R
wild-type; complex with novel tricyclic p2-ligands GRL-0739a 1.29 Å 4KB9 4KB9 4KB9 4KB9 4KB9 4KB9
wild-type; complex with darunavir 1.95 Å 4LL3 4LL3 4LL3 4LL3 4LL3 4LL3
gs-8374, a novel phosphonate-containing inhibitor of hiv-1 protease, effectively inhibits hiv pr mutants with amino acid insertions 2.05 Å 4M8X 4M8X 4M8X 4M8X 4M8X 4M8X
multidrug-resistant clinical isolate; complex with non-peptidic inhibitor, GRL008 1.80 Å 4NJS 4NJS 4NJS 4NJS 4NJS 4NJS
multidrug-resistant clinical isolate; complex with darunavir 1.95 Å 4NJT 4NJT 4NJT 4NJT 4NJT 4NJT
multidrug-resistant clinical isolate; complex with tipranavir 1.80 Å 4NJU 4NJU 4NJU 4NJU 4NJU 4NJU
multidrug-resistant clinical isolate; complex with ritonavir 1.80 Å 4NJV 4NJV 4NJV 4NJV 4NJV 4NJV
nelfinavir-resistant, inactive Asp30Asn/Asn88Asp; complex with the p1-p6 substrate variant (Leu449Phe/Ser451Asn) 1.90 Å 4OBD 4OBD 4OBD 4OBD 4OBD 4OBD
nelfinavir-resistant, inactive Asp30Asn/Asn88Asp; complex with the p1-p6 substrate variant (Ser451Asn) 1.68 Å 4OBF 4OBF 4OBF 4OBF 4OBF 4OBF
nelfinavir-resistant, inactive Asp30Asn/Asn88Asp; complex with the p1-p6 substrate. 1.78 Å 4OBG 4OBG 4OBG 4OBG 4OBG 4OBG
complex with N,N-bis(2(R)-hydroxy-1(S)-indanyl)-2,6-(R,R)-diphenylmethyl-4-hydroxy-1,7,-heptandiamide 2.00 Å 4PHV 4PHV 4PHV 4PHV 4PHV 4PHV
multidrug-resistant clinical isolate; complex with non-peptidic inhibitor, GRL0519 1.99 Å 4RVI 4RVI 4RVI 4RVI 4RVI 4RVI
multidrug-resistant clinical isolate; complex with amprenavir 1.60 Å 4RVJ 4RVJ 4RVJ 4RVJ 4RVJ 4RVJ
multidrug-resistant clinical isolate; complex with non-peptidic inhibitor, GRL079 1.96 Å 4RVX 4RVX 4RVX 4RVX 4RVX 4RVX
dimer in closed form with pepstatin in active site and fragment ak-2097 in the outside/top of flap 2.18 Å 4TVG 4TVG 4TVG 4TVG 4TVG 4TVG
hiv protease (pr) dimer in closed form with tl-3 in active site and fragment ak-2097 in the outside/top of flap ***caveat 4tvh chiral center atom c10 of 3tl a 200 has sp2 hybridization ***caveat 2 4tvh instead of sp3 2.20 Å 4TVH 4TVH 4TVH 4TVH 4TVH 4TVH
wild type; complex with GRL-050-10a (a gem-difluoro-bis- tetrahydrofuran as p2-ligand) 1.30 Å 4U8W 4U8W 4U8W 4U8W 4U8W 4U8W
multidrug resistant clinical isolate pr20; complex with inhibitor GRL-4410a 1.35 Å 4YE3 4YE3 4YE3 4YE3 4YE3 4YE3
multidrug resistant clinical isolate pr20; complex with inhibitor GRL-5010a 1.30 Å 4YHQ 4YHQ 4YHQ 4YHQ 4YHQ 4YHQ
multidrug resistant clinical isolate pr20d25n with open flap 1.75 Å 4Z4X 4Z4X 4Z4X 4Z4X 4Z4X 4Z4X
crystal structure of multidrug resistant hiv-1 protease clinical isolate pr20d25n with tucked flap 1.45 Å 4Z50 4Z50 4Z50 4Z50 4Z50 4Z50
wild type; complex with GRL-0648a (a isophthalamide-derived p2- ligand) 1.11 Å 4ZIP 4ZIP 4ZIP 4ZIP 4ZIP 4ZIP
wild type; complex with GRL-096-13a (a boc-derivative p2-ligand,3,-5-dimethylbiphenyl p1-ligand) 1.53 Å 4ZLS 4ZLS 4ZLS 4ZLS 4ZLS 4ZLS
wild type; complex with GRL-011-11a (a methylamine bis- tetrahydrofuran p2-ligand, sulfonamide isostere derivate) 1.34 Å 5BRY 5BRY 5BRY 5BRY 5BRY 5BRY
wild type; complex with GRL-047-11a (a methylamine bis- tetrahydrofuran p2-ligand, 4-amino sulfonamide derivative) 1.29 Å 5BS4 5BS4 5BS4 5BS4 5BS4 5BS4
complex with inhibitor GRL-004-11a containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligand 1.22 Å 5DGU 5DGU 5DGU 5DGU 5DGU 5DGU
complex with inhibitor GRL-105-11a containing substituted fused-tetrahydropyranyl tetrahydrofuran as p2-ligand 1.62 Å 5DGW 5DGW 5DGW 5DGW 5DGW 5DGW
triple mutant (Val32Ile/Ile47Val/Val82Ile); complex with darunavir at ph 6.0 1.85 Å 5E5J 5E5J 5E5J 5E5J 5E5J 5E5J
complex with acetyl-pepstatin 2.00 Å 5HVP 5HVP 5HVP 5HVP 5HVP 5HVP Fitzgerald et al., 1990
complex with methyl n-[(1s)-1- benzhydryl-2-(3-morpholin-4-ium-2-ylpropylamino)-2-oxo- ethyl]carbamate 1.57 Å 5IVQ 5IVQ 5IVQ 5IVQ 5IVQ 5IVQ
complex with methyl n-[(1s)-1-[[2-[(3s)-3-[(4-aminophenyl)methylamino]-4-hydroxy- butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate 1.50 Å 5IVR 5IVR 5IVR 5IVR 5IVR 5IVR
complex with methyl n-[(1s)-1- benzhydryl-2-[2-[2-[(2r,5s)-5-(benzylcarbamoyloxymethyl)morpholin-2- yl]ethyl]anilino]-2-oxo-ethyl]carbamate 1.46 Å 5IVS 5IVS 5IVS 5IVS 5IVS 5IVS
wild type; complex with GRL- 10413 1.80 Å 5KAO 5KAO 5KAO 5KAO 5KAO 5KAO
Val32Ile/Ile47Val/Val82Ile mutant; complex with amprenavir at ph 6.0 1.85 Å 5T8H 5T8H 5T8H 5T8H 5T8H 5T8H
wild type; complex with GRL-09510 1.90 Å 5V4Y 5V4Y 5V4Y 5V4Y 5V4Y 5V4Y
hiv protease (pr) with tl-3 in active site and 4-methylbenzene-1,2- diamine in exosite 2.00 Å 5VEA 5VEA 5VEA 5VEA 5VEA 5VEA
hiv protease (pr) in open form with mg2+ in active site and hive-9 in eye site 2.00 Å 5VJ3 5VJ3 5VJ3 5VJ3 5VJ3 5VJ3
hiv protease (pr) in open form with mg2+ in active site and hive-9 in eye site 3.00 Å 5W5W 5W5W 5W5W 5W5W 5W5W 5W5W
complex with (s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4- fluorophenyl)propanamide 1.63 Å 6B36 6B36 6B36 6B36 6B36 6B36
complex with n-(3-fluoro-2-(2- ((2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 1.48 Å 6B38 6B38 6B38 6B38 6B38 6B38
complex with n-(3-fluoro-2-(2- ((2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 1.60 Å 6B3C 6B3C 6B3C 6B3C 6B3C 6B3C
complex with n-(3-fluoro-2-(2- ((2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 1.46 Å 6B3F 6B3F 6B3F 6B3F 6B3F 6B3F
complex with n-(3-fluoro-2-(2- ((2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 1.50 Å 6B3G 6B3G 6B3G 6B3G 6B3G 6B3G
complex with n-(2-(2-((6r,9s)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3- fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide 1.62 Å 6B3H 6B3H 6B3H 6B3H 6B3H 6B3H
nl4-3 wt; complex with darunavir 2.00 Å 6DGX 6DGX 6DGX 6DGX 6DGX 6DGX
nl4-3 wt; complex with umass1 1.95 Å 6DGY 6DGY 6DGY 6DGY 6DGY 6DGY
nl4-3 wt; complex with umass6 1.99 Å 6DGZ 6DGZ 6DGZ 6DGZ 6DGZ 6DGZ
nl4-3 v82i mutant; complex with darunavir 1.91 Å 6DH3 6DH3 6DH3 6DH3 6DH3 6DH3
nl4-3 Val82Ile mutant; complex with umass1 1.94 Å 6DH4 6DH4 6DH4 6DH4 6DH4 6DH4
nl4-3 Val82Ile mutant; complex with umass6 2.01 Å 6DH5 6DH5 6DH5 6DH5 6DH5 6DH5
nl4-3 i50v mutant; complex with darunavir 1.97 Å 6DH6 6DH6 6DH6 6DH6 6DH6 6DH6
nl4-3 Ile50Val mutant; complex with umass1 2.00 Å 6DH7 6DH7 6DH7 6DH7 6DH7 6DH7
nl4-3 Ile50Val mutant; complex with umass6 1.95 Å 6DH8 6DH8 6DH8 6DH8 6DH8 6DH8
wild-type hiv-1 protease in complex with tipranavir 1.20 Å 6DIF 6DIF 6DIF 6DIF 6DIF 6DIF
Leu76Val mutant; complex with tipranavir 1.48 Å 6DIL 6DIL 6DIL 6DIL 6DIL 6DIL
wild-type; complex with lopinavir 1.26 Å 6DJ1 6DJ1 6DJ1 6DJ1 6DJ1 6DJ1
Leu76Val mutant; complex with lopinavir 1.36 Å 6DJ2 6DJ2 6DJ2 6DJ2 6DJ2 6DJ2
Leu76Val mutant; complex with GRL-0519 (tris- tetrahydrofuran as p2 ligand) 1.75 Å 6DJ5 6DJ5 6DJ5 6DJ5 6DJ5 6DJ5
Leu76Val mutant; complex with GRL-5010 (gem- difluoro-bis-tetrahydrofuran as p2 ligand) 1.31 Å 6DJ7 6DJ7 6DJ7 6DJ7 6DJ7 6DJ7
wild type; complex with GRL-02815a, a thiochroman heterocycle with (s)-boc-amine functionality as the p2 ligand 1.20 Å 6DV0 6DV0 6DV0 6DV0 6DV0 6DV0
wild type; complex with GRL-04315a, a tetrahydronaphthalene carboxamide with (r)-boc-amine and (s)-hydroxyl functionalities as the p2 ligand 1.14 Å 6DV4 6DV4 6DV4 6DV4 6DV4 6DV4
wild type; complex with GRL-042-17a, 3-phenylhexahydro-2h- cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the p2 ligand 1.30 Å 6E7J 6E7J 6E7J 6E7J 6E7J 6E7J
wild type; complex with GRL-034-17a, (3as, 5r, 6ar)-2-oxohexahydcyclopenta[d]-5-oxazolyl urethane with a bicyclic oxazolidinone scaffas the p2 ligand 1.22 Å 6E9A 6E9A 6E9A 6E9A 6E9A 6E9A
complex with bpi-11 1.00 Å 6IXD 6IXD 6IXD 6IXD 6IXD 6IXD
wild type; complex with GRL-001 1.48 Å 6MCR 6MCR 6MCR 6MCR 6MCR 6MCR
wild type; complex with GRL-003 1.52 Å 6MCS 6MCS 6MCS 6MCS 6MCS 6MCS
wild-type hiv-1 protease in complex with a substrate analog ca-p2 1.46 Å 6O48 6O48 6O48 6O48 6O48 6O48
Val32Ile/Ile47Val/Val82Ile mutant; complex with GRL-011-11a (a methylamine bis-tetrahydrofuran p2-ligand, sulfonamide isostere derivate) 1.50 Å 6OTG 6OTG 6OTG 6OTG 6OTG 6OTG
complex with ACE-Ser-Leu-Asn-Phe-PSI(CH(OH)-CH2)-Pro-Ile-Val-OME 2.40 Å 7HVP 7HVP 7HVP 7HVP 7HVP 7HVP Swain et al., 1990
complex with U101935 2.00 Å 7UPJ 7UPJ 7UPJ 7UPJ 7UPJ 7UPJ Skulnick et al., 1997
complex with Val-Ser-Gln-Asn-Leu-PSI(CH(OH)-CH2)-Val-Ile-Val 2.50 Å 8HVP 8HVP 8HVP 8HVP 8HVP 8HVP Jaskolski et al., 1991
complex with A-74704l 2.80 Å 9HVP 9HVP 9HVP 9HVP 9HVP 9HVP Erickson et al., 1990

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