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5KUE
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BU of 5kue by Molmil
Human SeMet incorporated I141M/L146M mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Calcium uniporter protein, ...
Authors:Mok, C.Y.M, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUI
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BU of 5kui by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium.
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUJ
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BU of 5kuj by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium.
Descriptor: Calcium uniporter protein, mitochondrial, MAGNESIUM ION
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUG
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BU of 5kug by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
3U7K
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BU of 3u7k by Molmil
Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Descriptor: (S)-N-(cyclopentylmethyl)-N-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide, Peptide deformylase, ZINC ION
Authors:Lee, S.J, Lee, S.-J, Lee, S.K, Yoon, H.-J, Lee, H.H, Kim, K.K, Lee, B.J, Suh, S.W.
Deposit date:2011-10-14
Release date:2012-06-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3U7N
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BU of 3u7n by Molmil
Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Descriptor: N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide, Peptide deformylase, ZINC ION
Authors:Lee, S.J, Lee, S.-J, Lee, S.K, Yoon, H.-J, Lee, H.H, Kim, K.K, Lee, B.J, Suh, S.W.
Deposit date:2011-10-14
Release date:2012-06-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3U7L
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BU of 3u7l by Molmil
Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Descriptor: (S)-N-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-N-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide, Peptide deformylase, ZINC ION
Authors:Lee, S.J, Lee, S.-J, Lee, S.K, Yoon, H.-J, Lee, H.H, Kim, K.K, Lee, B.J, Suh, S.W.
Deposit date:2011-10-14
Release date:2012-06-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structures of Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3U7M
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BU of 3u7m by Molmil
Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Descriptor: N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide, Peptide deformylase, ZINC ION
Authors:Lee, S.J, Lee, S.-J, Lee, S.K, Yoon, H.-J, Lee, H.H, Kim, K.K, Lee, B.J, Suh, S.W.
Deposit date:2011-10-14
Release date:2012-06-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
6OXZ
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BU of 6oxz by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-20
Descriptor: (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 NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXR
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BU of 6oxr by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-82
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXU
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BU of 6oxu by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-99
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY2
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BU of 6oy2 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-25
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXW
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BU of 6oxw by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-100
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXT
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BU of 6oxt by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-84
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY0
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BU of 6oy0 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-21
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXX
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BU of 6oxx by Molmil
HIV-1 Protease NL4-3 WT 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 NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXQ
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BU of 6oxq by Molmil
HIV-1 Protease NL4-3 WT in Complex with UMass8
Descriptor: (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 NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXV
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BU of 6oxv by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-85
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXY
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BU of 6oxy by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-19
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6PJI
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BU of 6pji by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-43
Descriptor: Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJK
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BU of 6pjk by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-29
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJB
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BU of 6pjb by Molmil
HIV-1 Protease NL4-3 WT in Complex with Lopinavir
Descriptor: N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJN
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BU of 6pjn by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-41
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJL
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BU of 6pjl by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-95
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJE
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BU of 6pje by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-43
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020

 

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