6B17
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![BU of 6b17 by Molmil](/molmil-images/mine/6b17) | Design of a short thermally stable alpha-helix embedded in a macrocycle | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | Deposit date: | 2017-09-17 | Release date: | 2018-02-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle. Chembiochem, 19, 2018
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1LT1
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1EC5
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![BU of 1ec5 by Molmil](/molmil-images/mine/1ec5) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION | Authors: | Geremia, S. | Deposit date: | 2000-01-25 | Release date: | 2000-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins. Proc.Natl.Acad.Sci.USA, 97, 2000
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2KIK
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![BU of 2kik by Molmil](/molmil-images/mine/2kik) | |
3V86
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![BU of 3v86 by Molmil](/molmil-images/mine/3v86) | |
1OVV
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1OVU
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1OVR
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![BU of 1ovr by Molmil](/molmil-images/mine/1ovr) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Mn(II)-DF1-L13 | Descriptor: | MANGANESE (II) ION, four-helix bundle model di-Mn(II)-DF1-L13 | Authors: | Di Costanzo, L, Geremia, S. | Deposit date: | 2003-03-27 | Release date: | 2004-05-18 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography. J.Am.Chem.Soc., 127, 2005
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6X8N
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![BU of 6x8n by Molmil](/molmil-images/mine/6x8n) | Crystal Structure of H49A ABLE mutant | Descriptor: | De novo designed ABLE protein | Authors: | Polizzi, N.F. | Deposit date: | 2020-06-01 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins. Science, 369, 2020
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1COS
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![BU of 1cos by Molmil](/molmil-images/mine/1cos) | CRYSTAL STRUCTURE OF A SYNTHETIC TRIPLE-STRANDED ALPHA-HELICAL BUNDLE | Descriptor: | COILED SERINE | Authors: | Lovejoy, B, Choe, S, Cascio, D, Mcrorie, D.K, Degrado, W, Eisenberg, D. | Deposit date: | 1993-01-22 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a synthetic triple-stranded alpha-helical bundle. Science, 259, 1993
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1BYZ
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![BU of 1byz by Molmil](/molmil-images/mine/1byz) | DESIGNED PEPTIDE ALPHA-1, P1 FORM | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Prive, G.G, Anderson, D.H, Wesson, L, Cascio, D, Eisenberg, D. | Deposit date: | 1998-10-20 | Release date: | 1998-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle. Protein Sci., 8, 1999
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5HKN
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![BU of 5hkn by Molmil](/molmil-images/mine/5hkn) | Crystal structure de novo designed fullerene organizing protein complex with fullerene | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | Authors: | Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F. | Deposit date: | 2016-01-14 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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5HKR
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![BU of 5hkr by Molmil](/molmil-images/mine/5hkr) | Crystal structure of de novo designed fullerene organising protein complex with fullerene | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | Authors: | Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F. | Deposit date: | 2016-01-14 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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2LY0
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![BU of 2ly0 by Molmil](/molmil-images/mine/2ly0) | Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2012-09-10 | Release date: | 2013-01-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus. Proc.Natl.Acad.Sci.USA, 110, 2013
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2MUV
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![BU of 2muv by Molmil](/molmil-images/mine/2muv) | NOE-based model of the influenza A virus M2 (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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2MUW
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![BU of 2muw by Molmil](/molmil-images/mine/2muw) | NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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8FUG
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2KZ2
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![BU of 2kz2 by Molmil](/molmil-images/mine/2kz2) | Calmodulin, C-terminal domain, F92E mutant | Descriptor: | CALCIUM ION, Calmodulin | Authors: | Korendovych, I, Kulp, D, Wu, Y, Cheng, H, Roder, H, DeGrado, W. | Deposit date: | 2010-06-10 | Release date: | 2011-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design of a switchable eliminase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3URM
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![BU of 3urm by Molmil](/molmil-images/mine/3urm) | Crystal structure of the periplasmic sugar binding protein ChvE | Descriptor: | Multiple sugar-binding periplasmic receptor ChvE, beta-D-galactopyranose | Authors: | Hu, X, Zhao, J, Binns, A, Degrado, W. | Deposit date: | 2011-11-22 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals. Proc.Natl.Acad.Sci.USA, 110, 2013
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3UUG
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![BU of 3uug by Molmil](/molmil-images/mine/3uug) | Crystal structure of the periplasmic sugar binding protein ChvE | Descriptor: | Multiple sugar-binding periplasmic receptor ChvE, beta-D-glucopyranuronic acid | Authors: | Hu, X, Zhao, J, Binns, A, Degrado, W. | Deposit date: | 2011-11-28 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals. Proc.Natl.Acad.Sci.USA, 110, 2013
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4DAC
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3BKD
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![BU of 3bkd by Molmil](/molmil-images/mine/3bkd) | High resolution Crystal structure of Transmembrane domain of M2 protein | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ... | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel Nature, 451, 2008
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3C9J
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![BU of 3c9j by Molmil](/molmil-images/mine/3c9j) | The Crystal structure of Transmembrane domain of M2 protein and Amantadine complex | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, Proton Channel protein M2, transmembrane segment | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | Deposit date: | 2008-02-15 | Release date: | 2008-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel Nature, 451, 2008
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1JM0
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![BU of 1jm0 by Molmil](/molmil-images/mine/1jm0) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | Authors: | Di Costanzo, L, Geremia, S. | Deposit date: | 2001-07-17 | Release date: | 2002-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001
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1JMB
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![BU of 1jmb by Molmil](/molmil-images/mine/1jmb) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | Authors: | Di Costanzo, L, Geremia, S. | Deposit date: | 2001-07-18 | Release date: | 2002-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001
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