2WH9
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![BU of 2wh9 by Molmil](/molmil-images/mine/2wh9) | Solution structure of GxTX-1E | Descriptor: | GUANGXITOXIN-1EGXTX-1E | Authors: | Lee, S.K, Jung, H.H, Lee, J.Y, Lee, C.W, Kim, J.I. | Deposit date: | 2009-05-02 | Release date: | 2010-05-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of Gxtx-1E, a High Affinity Tarantula Toxin Interacting with Voltage Sensors in Kv2.1 Potassium Channels. Biochemistry, 49, 2010
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3U7K
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![BU of 3u7k by Molmil](/molmil-images/mine/3u7k) | 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
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3U7N
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![BU of 3u7n by Molmil](/molmil-images/mine/3u7n) | 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
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3U7L
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![BU of 3u7l by Molmil](/molmil-images/mine/3u7l) | 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
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3U7M
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![BU of 3u7m by Molmil](/molmil-images/mine/3u7m) | 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
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5KUE
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![BU of 5kue by Molmil](/molmil-images/mine/5kue) | 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
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5KUI
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![BU of 5kui by Molmil](/molmil-images/mine/5kui) | 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
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5KUG
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![BU of 5kug by Molmil](/molmil-images/mine/5kug) | 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
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5KUJ
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![BU of 5kuj by Molmil](/molmil-images/mine/5kuj) | 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
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1Q1Y
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![BU of 1q1y by Molmil](/molmil-images/mine/1q1y) | Crystal Structures of Peptide Deformylase from Staphylococcus aureus Complexed with Actinonin | Descriptor: | ACTINONIN, Peptide deformylase, ZINC ION | Authors: | Yoon, H.J, Lee, S.K, Kim, H.L, Kim, H.W, Kim, H.W, Lee, J.Y, Mikami, B, Suh, S.W. | Deposit date: | 2003-07-23 | Release date: | 2004-07-23 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of peptide deformylase from Staphylococcus aureus in complex with actinonin, a naturally occurring antibacterial agent Proteins, 57, 2004
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2JRV
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![BU of 2jrv by Molmil](/molmil-images/mine/2jrv) | The third dimensional structure of mab198-bound pep.1 for autoimmune myasthenia gravis | Descriptor: | PEPTIDE PEP.1 | Authors: | Jung, H.H, Yi, H.J, Lee, S.K, Lee, J.Y, Jung, H.J, Yang, S.T, Eu, Y.-J, Im, S.-H, Kim, J.I. | Deposit date: | 2007-06-29 | Release date: | 2008-07-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural analysis of immunotherapeutic peptides for autoimmune Myasthenia gravis Biochemistry, 46, 2007
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2JRW
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![BU of 2jrw by Molmil](/molmil-images/mine/2jrw) | Solution structure of Cyclic extended Pep1(Cyc.ext.Pep.1) for autoimmune myasthenia gravis | Descriptor: | Cyclic extended Pep.1 | Authors: | Jung, H.H, Yi, H.J, Lee, S.K, Lee, J.Y, Jung, H.J, Yang, S.T, Eu, Y.-J, Im, S.-H, Kim, J.I. | Deposit date: | 2007-06-29 | Release date: | 2008-07-01 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structural analysis of immunotherapeutic peptides for autoimmune Myasthenia gravis Biochemistry, 46, 2007
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6OY1
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![BU of 6oy1 by Molmil](/molmil-images/mine/6oy1) | HIV-1 Protease NL4-3 WT 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 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
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6OXO
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![BU of 6oxo by Molmil](/molmil-images/mine/6oxo) | HIV-1 Protease NL4-3 WT in Complex with LR2-91 | Descriptor: | (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 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 (2.003 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXP
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![BU of 6oxp by Molmil](/molmil-images/mine/6oxp) | HIV-1 Protease NL4-3 WT in Complex with UMass3 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]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 (1.97 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXS
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![BU of 6oxs by Molmil](/molmil-images/mine/6oxs) | HIV-1 Protease NL4-3 WT in Complex with LR-76 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-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 (1.989 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXZ
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![BU of 6oxz by Molmil](/molmil-images/mine/6oxz) | 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
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6OXR
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![BU of 6oxr by Molmil](/molmil-images/mine/6oxr) | 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
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6OXU
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![BU of 6oxu by Molmil](/molmil-images/mine/6oxu) | 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
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6OY2
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![BU of 6oy2 by Molmil](/molmil-images/mine/6oy2) | 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
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6OXT
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![BU of 6oxt by Molmil](/molmil-images/mine/6oxt) | 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
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6OY0
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![BU of 6oy0 by Molmil](/molmil-images/mine/6oy0) | 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
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6OXX
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![BU of 6oxx by Molmil](/molmil-images/mine/6oxx) | 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
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6OXW
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![BU of 6oxw by Molmil](/molmil-images/mine/6oxw) | 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
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6OXQ
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![BU of 6oxq by Molmil](/molmil-images/mine/6oxq) | 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
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