HIVdb: Table of Ligand-Enzyme Complexes

System	PDB File	HIVdb File	Company or Laboratory	Quality	Year	Inhibitor (Type)
HIV-1 PR (BH10 isolate) with substrate (model)	1hvp	hiv1nci	ABL-BRP, NCI Frederick	*******	1989	N/A
HIV-1 PR (NY5 isolate)unliganded	2hvp	hiv1msd	Merck, Sharp and Dohme Res. Lab	*******	1989	N/A
HIV-1 PR (ARV2/SF2 isolate) unliganded	3hvp	hiv2nci	ABL-BRP, NCI Frederick	*******	1989	N/A
HIV-1 PR (HXB2 isolate) unliganded	3phv	hiv1bcl	Birkbeck College, Laboratory of Molecular Biology, London	*******	1989	N/A
HIV-1 PR (synthetic enzyme) with inhibitor MVT101	4hvp	hiv3nci	ABL-BRP, NCI Frederick	*******	1989	MVT101 (Reduced amide isostere)
HIV-1 PR (BH10 isolate) with inhibitor A74704	9hvp	hiv1abb	Abbott Laboratories Dept. of CAMD	*******	1990	A74704 (hydroxyethylene isostere)
HIV-1 PR (synthetic enzyme) with inhibitor JG365	7hvp	hiv4nci	ABL-BRP, NCI Frederick	*******	1990	JG365 (hydroxyethylamine isostere)
HIV-1 PR (NY5 isolate) with acetyl-pepstatin	5hvp	hiv2msd	Merck Sharp and Dohme Res. Lab	*******	1990	(Statine izostere)
HIV-2 PR (ROD isolate) with renin inhibitor H261 (model)	2phv	hiv5nci	ABL-BRP, NCI Frederick	*******	1991	H261 (hydroxyethylene isostere)
HIV-2 PR (ROD isolate) with acetyl-pepstatin (model)	1phv	hiv6nci	ABL-BRP, NCI Frederick	*******	1991	Acetyl-Pepstatin
HIV-1 PR (NY5 isolate) with pseudo C2 - symmetry inhibitor L-700,417	4phv	hiv3msd	Merck Sharp and Dohme Res. Lab	*******	1991	L-700,417 (hydroxyethylene isostere)
HIV-1 PR (synthetic enzyme) with inhibitor U-85548E	8hvp	hiv7nci	ABL-BRP, NCI Frederick	*******	1991	U-85548E (hydroxyethylene isostere)
HIV-1 PR (BRU isolate) unliganded	1hhp	hiv1pip	Institut Pasteur, Paris	*******	1991	N/A
HIV-1 PR (BH10 isolate) with inhibitor SKF 108738	1hef	hiv1skb	SmithKline Beecham Pharmaceuticalss	*******	1992	SKF 108738 (hydroxyethylene isostere)
HIV-1 PR (BH10 isolate) with inhibitor SKF 107457	1heg	hiv2skb	SmithKline Beecham Pharmaceuticalss	*******	1992	SKF 107457 (hydroxyethylene isostere)
HIV-1 PR (BH10 isolate) with hydroxyethylene inhibitor	1aaq	hiv3skb	SmithKline Beecham Pharmaceuticalss	*******	1992	(hydroxyethylene isostere)
HIV-1 PR (isolate unknown) with dihydroxyethylene inhibitor U75875	1hiv	hiv8nci	ABL-BRP, NCI Frederick	*******	1992	U75875 (dihydroxyethylene isostere)
HIV-1 PR (BH10 isolate) with C2 - symmetric phosphinate inhibitor	1hos	hiv4skb	SmithKline Beecham Pharmaceuticalss	*******	1993	SB204144 (perfectly symmetrical phosphinate inhibitor)
HIV-1 PR (BH10 isolate) with penicillin - derived C2 - symmetric inhibitor	1hte	hiv1glx	Glaxo Group Research Limited	*******	1993	GR123976 (penicillin-derived C2-symmetric inhibitor)
HIV-1 PR (BH10 isolate) with penicillin - derived C2 - symmetric inhibitor	1htf	hiv2glx	Glaxo Group Research Limited	*******	1993	GR126045 (penicillin-derived C2-symmetric inhibitor)
HIV-2 PR (ROD isolate) with inhibitor BILA-398	2mip	hiv1bip	Boehringer Ingelheim Pharmaceuticalss	*******	1993	BILA-398 (reduced amide isostere)
SIV PR (mutant S4H, from macaque monkeys, recombinant form SIV = MAC = 239, plasmid SOD) with irreversible nonpeptide inhibitor EPNP	2sam	hiv1ucs	University of California San Francisco	*******	1993	EPNP (epoxy inhibitor)
HIV-2 PR (isolate unknown) K57L mutant with inhibitor U75875	1ivp	hiv1ulk	Upjohn Company, Kalamazoo	*******	1993	U75875 (dihydroxyethylene isostere)
HIV-2 PR (isolate unknown) K57L mutant with inhibitor U92163	1ivq	hiv2ulk	Upjohn Company, Kalamazoo	*******	1993	U92163 (hydroxyethylene isostere)
SIV PR (MAC 251 isolate) with inhibitor SKF107457	1siv	hiv5skb	SmithKline Beecham Pharmaceuticalss	*******	1993	SKF107457 (hydroxyethylene isostere)
HIV-1 PR (BH10 isolate) with inhibitor SB206343	1hps	hiv6skb	SmithKline Beecham Pharmaceuticalss	*******	1994	SB 206343 (hydroxyethylene isostere)
HIV-1 PR (NY5 isolate) with inhibitor L-735,524 (MK639) [CRIXIVAN (Indinavir)]	1hsg	hiv4msd	Merck & Co., Inc.	*******	1994	L-735,524; MK-639, Indinavir,Crixivan (hydroxyethylene isostere)
HIV-2 PR (ROD isolate) with inhibitor L-735,524	1hsh	hiv5msd	Merck Sharp and Dohme Res. Lab	*******	1994	L-735,524,MK-639,Indinavir,Crixivan (hydroxyethylene isostere)
HIV-2 PR (ROD isolate) without inhibitor	1hsi	hiv6msd	Merck Sharp and Dohme Res. Lab	*******	1994	N/A
HIV-1 PR (BH10 isolate) with inhibitor SB 203386	1sbg	hiv7skb	SmithKline Beecham Pharmaceuticalss	*******	1994	SB 203386 (hydroxyethylene isostere)
HIV-1 PR (BH10 isolate) with C2 - symmetry - based diol inhibitor A77003(R,S)	1hvi	hiv9nci	SAIC, NCI Frederick	*******	1994	A77003 (C2 symmetry-based diol isostere)
HIV-1 PR (BH10 isolate) with C2 - symmetry - based diol inhibitor A78791(S,-)	1hvj	hiv10nci	SAIC, NCI Frederick	*******	1994	A78791 (C2 symmetry-based diol isostere)
HIV-1 PR (BH10 isolate) with C2 - symmetry - based diol inhibitor A76928(S,S)	1hvk	hiv11nci	SAIC, NCI Frederick	*******	1994	A76928 (C2 symmetry-based diol isostere)
HIV-1 PR (BH10 isolate) with C2 - symmetry - based diol inhibitor A76889(R,R)	1hvl	hiv12nci	SAIC, NCI Frederick	*******	1994	A76889 (C2 symmetry-based diol isostere)
SIV PR (MAC251-32H isolate)	1sip	hiv2bcl	Birkbeck College, Laboratory of Molecular Biology, London	*******	1994	N/A
HIV-1 PR (BH10 isolate) with penicillin - derived inhibitor GR137615	1htg	hiv3glx	Glaxo Group Research Limited	*******	1994	GR137615 (penicillin-derived inhibitor)
HIV-1 PR (LAI isolate) with inhibitor A76928	1hvc	hiv13nci	SAIC, NCI Frederick	*******	1994	A76928 (C2 symmetry-based diol isostere (S,S))
HIV-2 PR (ROD isolate) with inhibitor BILA 1906 containing hydroxyethylamine dipeptide izostere	1ida	hiv2bip	Boehringer Ingelheim Pharmaceuticalss	*******	1994	BILA 1906 (hydroxyethylamine isostere)
HIV-2 PR (ROD isolate) with inhibitor BILA 2450 containing hydroxyethylamine dipeptide izostere	1idb	hiv3bip	Boehringer Ingelheim Pharmaceuticalss	*******	1994	BILA 2450 (hydroxyethylamine isostere)
HIV-1 PR (BH5 isolate) with nonpeptide cyclic ureas as inhibitor XK263	1hvr	hiv1dpm	DuPont Merck Pharmaceuticals Company	*******	1994	XK263 (nonpeptidic ureas inhibitor)
HIV-2 PR (ROD isolate) mutant (K57L) with unidentified peptide fragment in active site	2hpe	hiv3ulk	Upjohn Company, Kalamazoo	*******	1994	N/A
HIV-2 PR (ROD isolate) mutant (K57L) with unidentified peptide fragment in active site	2hpf	hiv4ulk	Upjohn Company, Kalamazoo	*******	1994	N/A
HIV-1 PR (BH10 isolate) with inhibitor SB203238	1hbv	hiv8skb	SmithKline Beecham Pharmaceuticalss	*******	1995	SB203238 (reduced amide isostere)
HIV-1 PR (BRU isolate) with inhibitor CGP 53820	1hih	hiv1cgp	Ciba-Geigy Pharmaceuticals Ltd.	*******	1995	CGP53820 (hydroxyethylene isostere)
HIV-2 PR (ROD isolate) with inhibitor CGP 53820	1hii	hiv2cgp	Ciba-Geigy Pharmaceuticals Ltd.	*******	1995	CGP52820 (hydroxyethylene isostere)
HIV-1 PR (BRU isolate) with inhibitor VX-478,Amprenavir	1hpv	hiv1vpi	Vertex Pharmaceuticalss Incorporated	*******	1995	VX-478;141W94; Amprenavir; Agenerase® (hydroxyethylene isostere,amino sulfonamide inhibitor)
HIV-1 PR (BH5 isolate) V82A mutant with inhibitor A77003	1hvs	hiv14nci	SAIC, NCI Frederick	*******	1995	A77003 (C2 symmetry-based diol isostere (R,S))
HIV-1 PR (BRU isolate) with allophenylnorstatine inhibitor KNI - 272	1hpx	hiv15nci	SAIC, NCI Frederick	*******	1995	KNI-272 (allophenylnorstatine analog)
HIV-1 PR (ARV2/SF2 isolate) with cyclic peptide inhibitor	1cpi	hiv1uba	University of Queensland, Australia	*******	1995	(cyclic peptidomimetic inhibitor)
HIV-1 PR (BH5 isolate) complex with inhibitor U095438	1upj	hiv5ulk	Upjohn Company, Kalamazoo	*******	1995	U095438 (carboxamide-containing 4- hydroxycoumarin inhibitor)
HIV-1 PR (BH5 isolate) complex with inhibitor U100313	2upj	hiv6ulk	Upjohn Company, Kalamazoo	*******	1995	U100313 (4-hydroxy-2-pyrones inhibitor)
HIV-2 PR (isolate unknown) mutant (K57L) with inhibitor U096333	3upj	hiv7ulk	Upjohn Company, Kalamazoo	*******	1995	U096333 (carboxamide-containing 4-hydroxycoumarin inhibitor)
HIV-2 PR (isolate unknown) mutant (K57L) with inhibitor U097410	4upj	hiv8ulk	Upjohn Company, Kalamazoo	*******	1995	U096333 (carboxamide-containing 4-hydroxycoumarin inhibitor)
HIV-1 PR (unknown isolate) with a difluoroketone containing inhibitor A79285	1dif	hiv16nci	SAIC, NCI Frederick	*******	1996	A79285 (difluoroketone isostere)
HIV-1 PR (HXB2 isolate) with DMP323, a novel cyclic urea - type inhibitor (mutation C95A)	1bve	hiv1nid	NIDR Bethesda,MD	*******	1996	DMP323 (urea-type inhibitor)
HIV-1 PR (HXB2 isolate) with DMP323, a novel cyclic urea - type inhibitor (mutation C95A)	1bvg	hiv2nid	NIDR Bethesda,MD	*******	1996	DMP323 (urea-type inhibitor)
HIV-1 PR (PV22 isolate) mutant (V82D) with U89360E, a peptidic inhibitor	1gnm	hiv1uoc	University of Oklahoma	*******	1996	U89360E (peptidic inhibitor)
HIV-1 PR (PV22 isolate) mutant (V82N) with U89360E, a peptidic inhibitor	1gnn	hiv2uoc	University of Oklahoma	*******	1996	U89360E (peptidic inhibitor)
HIV-1 PR (PV22 isolate) wild type with U89360E, a peptidic inhibitor	1gno	hiv3uoc	University of Oklahoma	*******	1996	U89360E (peptidic inhibitor)
HIV-1 PR (ARV2/SF2 isolate) (mutant) complexed with a cyclic Phe - Ile - Val peptidomimetic inhibitor	1mtr	hiv2uba	University of Queensland, Australia	*******	1996	Phe-Ile-Val (cyclic peptidomimetic inhibitor)
HIV-1 PR (Z2 isolate) dimer complex with inhibitor A-98881	1pro	hiv2abb	Abbott Laboratories Dept. of CAMD	*******	1996	A-98881 (urea-type inhibitor)
HIV-1 PR (HXB-3 isolate) complex with inhibitor RO 31-8959 [INVIRASE (saquinavir)]	1hxb	hiv1hlr	Hoffmann-La Roche	*******	1996	RO 31-8959, saquinavir;Invirase® ; Fortovase®; hydroxyethylamine isostere
HIV-1 PR (HXB-2 isolate) complex with inhibitor BMS-182193	1odw	hiv17nci	ABL-BRP, NCI Frederick	*******	1996	BMS-182193 aminodiol isostere
HIV-1 PR (HXB-2 isolate) mutant A71T, V82A with inhibitor BMS-182193	1odx	hiv18nci	ABL-BRP, NCI Frederick	*******	1996	BMS-182193 aminodiol isostere
SIV PR (MAC 251 isolate) with inhibitor SB203386	1tcw	hiv9skb	SmithKline Beecham Pharmaceuticalss	*******	1996	SB203386
HIV-1 PR (SF-2 strain) mutant Q7K with peptide product	1ytg	hiv2ucs	University of California San Francisco	*******	1996	peptide product
HIV-1 PR (SF-2 strain) mutant Q7K with peptide product	1yth	hiv3ucs	University of California San Francisco	*******	1996	peptide product
SIV PR (MAC 239 isolate) mutant S4H with peptide product	1yti	hiv4ucs	University of California San Francisco	*******	1996	peptide product
SIV PR (MAC 239 isolate) mutant S4H with peptide product	1ytj	hiv5ucs	University of California a San Francisco	*******	1996	peptide product
HIV-1 PR (BH102 isolate) with inhibitor DMP450	1dmp	hiv14dpm	DuPont Merck Pharmaceuticals Company	*******	1996	DMP 450
HIV-1 PR with inhibitor SB203386	1tcx	hiv13skb	SmithKline Beecham Pharmaceuticalss	*******	1996	SB203386
HIV-1 PR (BH10 isolate) with cyclic sulfoamide inhibitor AHA006	1ajv	hiv1upp	Uppsala University, Sweden	*******	1997	AHA006 cyclic sulfoamide
HIV-1 PR (BH10 isolate) with cyclic sulfoamide inhibitor AHA001	1ajx	hiv2upp	Uppsala University, Sweden	*******	1997	AHA001 cyclic urea inhibitor
HIV-1 PR (SF1 isolate) with a nonpeptide inhibitor THK	1aid	hiv6ucd	University of California San Francisco	*******	1997	THK nonpeptidic inhibitor
HIV-1 PR with inhibitor A-84538,ABT-538 [NORVIR (Ritonavir)]	1hxw	hiv3abb	Abbott Laboratories	*******	1997	A-84538,ABT-538
HIV-2 PR with inhibitor containing a novel (hydroxyethyl)amide isostere	1jld	hiv6bip	Boehringer Ingelheim Pharmaceuticalss	*******	1997	BILA-N/A
HIV-1 PR (BH102 strain) I84V mutations with inhibitor DMP450	1mer	hiv6dpm	DuPont Merck Pharmaceuticals Company	*******	1997	DMP-450
HIV-1 PR (BH102 strain) I84V mutations with inhibitor DMP323	1mes	hiv7dpm	DuPont Merck Pharmaceuticals Company	*******	1997	DMP-323
HIV-1 PR (BH102 strain) V82F mutations with inhibitor DMP323	1met	hiv8dpm	DuPont Merck Pharmaceuticals Company	*******	1997	DMP-323
HIV-1 PR (BH102 strain) V82F,I84V mutations with inhibitor DMP323	1meu	hiv9dpm	DuPont Merck Pharmaceuticals Company	*******	1997	DMP-323
HIV-1 PR (BH102 strain) with cyclic urea amide inhibitor	1qbr	hiv15dpm	DuPont Merck Pharmaceuticals Company	*******	1997	cyclic urea amide inhibitor
HIV-1 PR (BH102 strain) with cyclic urea amide inhibitor	1qbs	hiv16dpm	DuPont Merck Pharmaceuticals Company	*******	1997	cyclic urea amide inhibitor
HIV-1 PR (BH102 strain) with cyclic urea amide inhibitor	1qbt	hiv17dpm	DuPont Merck Pharmaceuticals Company	*******	1997	cyclic urea amide inhibitor
HIV-1 PR (BH102 strain) with cyclic urea amide inhibitor	1qbu	hiv18dpm	DuPont Merck Pharmaceuticals Company	*******	1997	cyclic urea amide inhibitor
HIV-1 PR (SF2 strain) with a nonpeptide inhibitor	2aid	hiv7ucs	University of California San Francisco	*******	1997	nonpeptide inhibitor
HIV-1 PR (SF strain) Q7K mutant with an aminimide peptide isostere inhibitor	3aid	hiv8ucs	University of California San Francisco	*******	1997	aminimide peptide isostere inhibitor
HIV-1 PR (isolate unknown) complexed with AG-1343[Viracept (Nelfinavir)]	1ohr	hiv19aug	Agouron Pharmaceuticals	*******	1997	Nelfinavir Mesylate
HIV-1 PR (HXB2 isolate) with a hydrophylic tripeptide inhibitor Glu-Asp-Leu	1a30	hiv1nih	National Institute of Health Bethesda	*******	1998	GLU-ASP-LEU hydrophylic tripeptide inhibitorderived from the transframe region of Gag-Pol
HIV-1 PR with inhibitor SDZ283-910	1a8g	hiv1sag	Sandoz Research Institute Vienna, Austria	*******	1998	SDZ283-910
HIV-1 PR G48H mutant with inhibitor U-89360E	1a9m	hiv4uoc	University of Oklahoma	*******	1998	U-89360E
SIV PR unliganded protease in an "open" conformation	1az5	hiv6ucs	University of California San Francisco	*******	1998	N/A
HIV-1 PR (K7Q, I33L,I63L mutant) with an analog of the conserved Ca-P2 substrate	1a8k	hiv1tju	Thomas Jefferson University Philadelphia	*******	1998	N/A
HIV-1 PR T31S, V32I, L33V, E34A, E35G, M36I, S37E mutations with inhibitor SB203386	1bdl	hiv10skb	SmithKline Beecham Pharmaceuticalss	*******	1998	SB203386
HIV-1 PR T31S, V32I, L33V, E34A, E35G, M36I, S37E, I47V,V82I mutations with inhibitor SB203386	1bdq	hiv11skb	SmithKline Beecham Pharmaceuticalss	*******	1998	SB203386
HIV-1 PR T31S, L33V, E34T, E35G, M36I, S37E mutations with inhibitor SB203386	1bdr	hiv12skb	SmithKline Beecham Pharmaceuticalss	*******	1998	SB203386
HIV-1 PR (BH102 strain) I82F, C95A mutations with inhibitor SD146	1bv7	hiv10dpm	DuPont Merck Pharmaceuticals Company	*******	1998	SD146
HIV-1 PRI (BH102 strain) I84V,C95A mutations with inhibitor XV638 (cyclic urea inhibitor)	1bv9	hiv11dpm	DuPont Merck Pharmaceuticals Company	*******	1998	XV638
HIV-1 PR V82F, I84V mutations with inhibitor XV638 (cyclic urea inhibitor)	1bwa	hiv12dpm	DuPont Merck Pharmaceuticals Company	*******	1998	XV638
HIV-1 PR (BH102 strain) V82F, I84V mutations with inhibitor SD146	1bwb	hiv13dpm	DuPont Merck Pharmaceuticals Company	*******	1998	SD146
HIV-1 PR A28S mutant, with inhibitor U89360E	1axa	hiv5uoc	University of Oklahoma	*******	1999	U89360E
HIV-1 PR (BH102 strain) with inhibitor Q8261	1hvh	hiv19dpm	DuPont Merck Pharmaceuticals Company	*******	1999	Q8261, Nonpeptide Cyclic Cyanoguanidines
HIV-1 PR (BH102 strain) with inhibitor XK216	1hwr	hiv20dpm	DuPont Merck Pharmaceuticals Company	*******	1999	XK216
HIV-1 PR (HXB2 isolate) with inhibitor LP-130	1ody	hiv20nci	ABL-BRP, NCI Frederick	*******	1999	LP-130
HIV-1 PR With The Inhibitor HOE/BAY 793	1vij	hiv1imb	IMB Jena	*******	1999	HOE/BAY 793
HIV-1 PR With The Inhibitor HOE/BAY 793	1vik	hiv2imb	IMB Jena	*******	1999	HOE/BAY 793
HIV-1 PR (NY5 isolate) with inhibitor L-738,317	2bpv	hiv12msd	Merck Sharp and Dohme Res. Lab	*******	1999	L-738,317
HIV-1 PR (NY5 isolate) with inhibitor L-738,317	2bpw	hiv13msd	Merck Sharp and Dohme Res. Lab	*******	1999	L-738,317
HIV-1 PR (NY5 isolate) with inhibitor L-735,524	2bpx	hiv14msd	Merck Sharp and Dohme Res. Lab	*******	1999	L-735,524,MK-639,Indinavir,Crixivan
HIV-1 PR (NY5 isolate) with inhibitor L-739,622	2bpy	hiv15msd	Merck Sharp and Dohme Res. Lab	*******	1999	L-739,622
HIV-1 PR (NY5 isolate) with inhibitor L-739,622	2bpz	hiv16msd	Merck Sharp and Dohme Res. Lab	*******	1999	L-739,622
HIV-1 PR (synthetic construct SF isolate) with macrocyclic peptidomimetic inhibitor	1d4k	hiv3uba	University of Queensland, Australia	*******	1999	PI9
HIV-1 PR (synthetic construct SF isolate) mutant with macrocyclic peptidomimetic inhibitor	1d4l	hiv4uba	University of Queensland, Australia	*******	1999	PI9
HIV-1 PR V82F/I84V Double Mutant/Tipranavir Complex	1d4s	hiv23ulk	Upjohn Company, Kalamazoo	*******	1999	U-140690; PNU-140690;Tipranavir
HIV-1 PR Q7K, L33I, L63I Triple Mutant/Tipranavir Complex	1d4y	hiv24ulk	Upjohn Company, Kalamazoo	*******	1999	U-140690; PNU-140690;Tipranavir
HIV-1 PR Q7K, L33I, L63I, C67A, L90M, C95A mutant , analogue of CA-P2 processing site	1dw6	hiv3tju	Thomas Jefferson University Philadelphia	*******	2000	CA-p2 analog inhibitor
HIV-1 PR Q7K, L33I, L63I, C67A, L90M, C95A mutant , analogue of CA-P2 processing site	1ebk	hiv4tju	Thomas Jefferson University Philadelphia	*******	2000	CA-p2 analog inhibitor
HIV-1 PR with saquinavir	1fb7	hiv6uoc	University of Oklahoma	*******	2000	saquinavir
HIV-1 PR with inhibitor Aha024 -Symmetric and Nonsymmetric Cyclic Sulfamide HIV-1 Protease Inhibitors	1g35	hiv5upp	Uppsala University, Sweden	*******	2000	Aha024
HIV-1 PR Crystal Structure Of Tethered Hiv-1 Protease