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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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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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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6OXV
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![BU of 6oxv by Molmil](/molmil-images/mine/6oxv) | 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
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6OXY
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![BU of 6oxy by Molmil](/molmil-images/mine/6oxy) | 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
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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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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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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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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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5WAT
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![BU of 5wat by Molmil](/molmil-images/mine/5wat) | Corynebacterium glutamicum Full length Homoserine kinase | Descriptor: | HEXAETHYLENE GLYCOL, Homoserine kinase, MAGNESIUM ION, ... | Authors: | Petit, C, Ronning, D.R. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis. ACS Omega, 3, 2018
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5WAS
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![BU of 5was by Molmil](/molmil-images/mine/5was) | Corynebacterium glutamicum Hydrolyzed Homoserine kinase | Descriptor: | Homoserine kinase, PHOSPHATE ION | Authors: | Petit, C, Ronning, D.R. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis. ACS Omega, 3, 2018
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7YO9
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![BU of 7yo9 by Molmil](/molmil-images/mine/7yo9) | |
7YO8
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![BU of 7yo8 by Molmil](/molmil-images/mine/7yo8) | |
1IX1
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![BU of 1ix1 by Molmil](/molmil-images/mine/1ix1) | Crystal Structure of P.aeruginosa Peptide deformylase Complexed with Antibiotic Actinonin | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, ACTINONIN, ZINC ION, ... | Authors: | Kim, H.-W, Yoon, H.-J, Lee, J.Y, Han, B.W, Yang, J.K, Lee, B.I, Ahn, H.J, Lee, H.H, Suh, S.W. | Deposit date: | 2002-06-07 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 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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5Y3N
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![BU of 5y3n by Molmil](/molmil-images/mine/5y3n) | Structure of TRAP1 complexed with DN401 | Descriptor: | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | Deposit date: | 2017-07-29 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
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5Y3O
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![BU of 5y3o by Molmil](/molmil-images/mine/5y3o) | Structure of TRAP1 complexed with DN320 | Descriptor: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | Deposit date: | 2017-07-29 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
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7C0J
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![BU of 7c0j by Molmil](/molmil-images/mine/7c0j) | Crystal structure of chimeric mutant of GH5 in complex with Z-DNA | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase | Authors: | Choi, H.J, Park, C.H. | Deposit date: | 2020-05-01 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process. Nucleic Acids Res., 48, 2020
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7C0I
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![BU of 7c0i by Molmil](/molmil-images/mine/7c0i) | Crystal structure of chimeric mutant of E3L in complex with Z-DNA | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-binding protein,Double-stranded RNA-specific adenosine deaminase, SULFATE ION | Authors: | Choi, H.J, Park, C.H, Kim, J.S. | Deposit date: | 2020-05-01 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process. Nucleic Acids Res., 48, 2020
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4N45
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![BU of 4n45 by Molmil](/molmil-images/mine/4n45) | Crystal structure of reduced form of thiolase from Clostridium acetobutylicum | Descriptor: | Acetyl-CoA acetyltransferase | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2013-10-08 | Release date: | 2014-10-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum to be published
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4N44
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![BU of 4n44 by Molmil](/molmil-images/mine/4n44) | Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum | Descriptor: | ACETATE ION, Acetyl-CoA acetyltransferase, GLYCEROL | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2013-10-08 | Release date: | 2014-10-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum to be published
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7E3Z
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![BU of 7e3z by Molmil](/molmil-images/mine/7e3z) | Non-Ribosomal Peptide Synthetases, Thioesterase | Descriptor: | CHLORIDE ION, thioesterase | Authors: | Jung, Y.E, Cha, S.S. | Deposit date: | 2021-02-09 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Unprecedented Noncanonical Features of the Nonlinear Nonribosomal Peptide Synthetase Assembly Line for WS9326A Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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6OPV
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![BU of 6opv by Molmil](/molmil-images/mine/6opv) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPZ
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![BU of 6opz by Molmil](/molmil-images/mine/6opz) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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