7MMA
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![BU of 7mma by Molmil](/molmil-images/mine/7mma) | Crystal structure of HCV NS3/4A protease in complex with NR01-145 | Descriptor: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMC
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![BU of 7mmc by Molmil](/molmil-images/mine/7mmc) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115 | Descriptor: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM4
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![BU of 7mm4 by Molmil](/molmil-images/mine/7mm4) | Crystal structure of HCV NS3/4A protease in complex with NR01-115 | Descriptor: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7M9L
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![BU of 7m9l by Molmil](/molmil-images/mine/7m9l) | HIV-1 Protease WT (NL4-3) in Complex with LR4-15 | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-15 To Be Published
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7MAD
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![BU of 7mad by Molmil](/molmil-images/mine/7mad) | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) | Descriptor: | Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) To Be Published
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7M9Q
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![BU of 7m9q by Molmil](/molmil-images/mine/7m9q) | HIV-1 Protease WT (NL4-3) in Complex with LR4-33 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-33 To Be Published
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7MAL
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![BU of 7mal by Molmil](/molmil-images/mine/7mal) | HIV-1 Protease (I84V) in Complex with PU8 (LR4-06) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PU8 (LR4-06) To Be Published
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7MAI
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![BU of 7mai by Molmil](/molmil-images/mine/7mai) | HIV-1 Protease (I84V) in Complex with PU5 (LR4-47) | Descriptor: | Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PU5 (LR4-47) To Be Published
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7MAO
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![BU of 7mao by Molmil](/molmil-images/mine/7mao) | HIV-1 Protease (I84V) in Complex with PU10 (LR4-07) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PU10 (LR4-07) To Be Published
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7MHC
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![BU of 7mhc by Molmil](/molmil-images/mine/7mhc) | Structure of human STING in complex with MK-1454 | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Lesburg, C.A. | Deposit date: | 2021-04-15 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A kinase-cGAS cascade to synthesize a therapeutic STING activator. Nature, 603, 2022
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7MAC
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![BU of 7mac by Molmil](/molmil-images/mine/7mac) | HIV-1 Protease (I84V) in Complex with PD4 (LR4-23) | Descriptor: | Protease, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PD4 (LR4-23) To Be Published
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7M9R
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![BU of 7m9r by Molmil](/molmil-images/mine/7m9r) | HIV-1 Protease WT (NL4-3) in Complex with LR4-44 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-44 To Be Published
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7M9K
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![BU of 7m9k by Molmil](/molmil-images/mine/7m9k) | HIV-1 Protease WT (NL4-3) in Complex with LR3-48 | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7M9O
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![BU of 7m9o by Molmil](/molmil-images/mine/7m9o) | HIV-1 Protease (I84V) in Complex with LR3-48 | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7MAJ
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![BU of 7maj by Molmil](/molmil-images/mine/7maj) | HIV-1 Protease (I84V) in Complex with PU6 (LR3-66) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.871 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7M9M
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![BU of 7m9m by Molmil](/molmil-images/mine/7m9m) | HIV-1 Protease WT (NL4-3) in Complex with LR3-55 | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7MAK
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![BU of 7mak by Molmil](/molmil-images/mine/7mak) | HIV-1 Protease (I84V) in Complex with PU7 (LR3-67) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.972 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7MAG
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![BU of 7mag by Molmil](/molmil-images/mine/7mag) | HIV-1 Protease (I84V) in Complex with PU3 (LR3-69) | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7M9P
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![BU of 7m9p by Molmil](/molmil-images/mine/7m9p) | HIV-1 Protease (I84V) in Complex with LR3-55 | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7MAE
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![BU of 7mae by Molmil](/molmil-images/mine/7mae) | HIV-1 Protease (I84V) in Complex with PU1 (LR3-46) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7M9N
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![BU of 7m9n by Molmil](/molmil-images/mine/7m9n) | HIV-1 Protease (I84V) in Complex with LR3-68 | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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7M9I
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![BU of 7m9i by Molmil](/molmil-images/mine/7m9i) | HIV-1 Protease (I84V) in Complex with LR2-26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.817 Å) | Cite: | HIV-1 Protease (I84V) in Complex with LR2-26 To Be Published
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7MAN
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![BU of 7man by Molmil](/molmil-images/mine/7man) | HIV-1 Protease (I84V) in Complex with PU9 (LR2-80) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PU9 (LR2-80) To Be Published
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7MAF
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![BU of 7maf by Molmil](/molmil-images/mine/7maf) | HIV-1 Protease (I84V) in Complex with PU2 (LR2-79) | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | HIV-1 Protease (I84V) in Complex with PU2 (LR2-79) To Be Published
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7M9G
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![BU of 7m9g by Molmil](/molmil-images/mine/7m9g) | HIV-1 Protease (I84V) in Complex with LR2-18 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | HIV-1 Protease (I84V) in Complex with LR2-18 To Be Published
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