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 | 分子名称: | (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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | HIV-1 Protease WT (NL4-3) in Complex with LR4-44 To Be Published
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7M9H
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![BU of 7m9h by Molmil](/molmil-images/mine/7m9h) | HIV-1 Protease (I84V) in Complex with LR2-20 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with LR2-20 To Be Published
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7M9V
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![BU of 7m9v by Molmil](/molmil-images/mine/7m9v) | HIV-1 Protease (I84V) in Complex with NR01-141 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-08-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with NR01-141 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) | 分子名称: | 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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with PU9 (LR2-80) 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 | 分子名称: | 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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | 主引用文献 | HIV-1 Protease in Complex with ligands 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) | 分子名称: | 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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with PU8 (LR4-06) To Be Published
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1HPV
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![BU of 1hpv by Molmil](/molmil-images/mine/1hpv) | |
7MA9
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![BU of 7ma9 by Molmil](/molmil-images/mine/7ma9) | HIV-1 Protease (I84V) in Complex with UMass9 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass9 To Be Published
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1FFF
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![BU of 1fff by Molmil](/molmil-images/mine/1fff) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE : HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES. | 分子名称: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-25 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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2ZYE
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![BU of 2zye by Molmil](/molmil-images/mine/2zye) | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | 著者 | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | 登録日 | 2009-01-20 | 公開日 | 2009-03-24 | 最終更新日 | 2024-05-29 | 実験手法 | NEUTRON DIFFRACTION (1.9 Å) | 主引用文献 | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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2BPY
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![BU of 2bpy by Molmil](/molmil-images/mine/2bpy) | HIV-1 protease-inhibitor complex | 分子名称: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | 著者 | Munshi, S, Chen, Z. | 登録日 | 1998-01-22 | 公開日 | 1999-02-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPV
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![BU of 2bpv by Molmil](/molmil-images/mine/2bpv) | HIV-1 protease-inhibitor complex | 分子名称: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | 著者 | Munshi, S, Chen, Z. | 登録日 | 1998-01-22 | 公開日 | 1999-02-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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1FGC
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![BU of 1fgc by Molmil](/molmil-images/mine/1fgc) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE: HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES | 分子名称: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-28 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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3BGB
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![BU of 3bgb by Molmil](/molmil-images/mine/3bgb) | HIV-1 protease in complex with a isobutyl decorated oligoamine | 分子名称: | CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease | 著者 | Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-11-26 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors Bioorg.Med.Chem., 16, 2008
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2PK5
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![BU of 2pk5 by Molmil](/molmil-images/mine/2pk5) | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I ) in Complex with KNI-10075 | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | 著者 | Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M. | 登録日 | 2007-04-17 | 公開日 | 2007-05-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Compensating enthalpic and entropic changes hinder binding affinity optimization. Chem.Biol.Drug Des., 69, 2007
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2PYM
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![BU of 2pym by Molmil](/molmil-images/mine/2pym) | HIV-1 PR mutant in complex with nelfinavir | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | 登録日 | 2007-05-16 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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1SGU
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![BU of 1sgu by Molmil](/molmil-images/mine/1sgu) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | 分子名称: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | 著者 | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | 登録日 | 2004-02-24 | 公開日 | 2004-10-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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7M9W
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![BU of 7m9w by Molmil](/molmil-images/mine/7m9w) | HIV-1 Protease (I84V) in Complex with NR02-73 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-08-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with NR02-73 To Be Published
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7MA8
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![BU of 7ma8 by Molmil](/molmil-images/mine/7ma8) | HIV-1 Protease (I84V) in Complex with UMass8 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass8 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) | 分子名称: | 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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with PU2 (LR2-79) To Be Published
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7M9U
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![BU of 7m9u by Molmil](/molmil-images/mine/7m9u) | HIV-1 Protease WT (NL4-3) in Complex with NR02-79 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-08-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | 主引用文献 | HIV-1 Protease WT (NL4-3) in Complex with NR02-79 To Be Published
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7MA7
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![BU of 7ma7 by Molmil](/molmil-images/mine/7ma7) | HIV-1 Protease (I84V) in Complex with UMass7 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.919 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass7 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) | 分子名称: | 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 | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | HIV-1 Protease in Complex with ligands To Be Published
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7MA0
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![BU of 7ma0 by Molmil](/molmil-images/mine/7ma0) | HIV-1 Protease (I84V) in Complex with LR2-91 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2021-03-31 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | HIV-1 Protease (I84V) in Complex with LR2-91 To Be Published
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2R3W
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![BU of 2r3w by Molmil](/molmil-images/mine/2r3w) | I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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