6WHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
|
|
6WHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
|
|
6WHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
|
|
6WI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
|
|
6WMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmk by Molmil](/molmil-images/mine/6wmk) | Crystal structure of beta sheet heterodimer LHD29 | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | Deposit date: | 2020-04-21 | Release date: | 2021-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
|
|
1MHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mhx by Molmil](/molmil-images/mine/1mhx) | Crystal Structures of the redesigned protein G variant NuG1 | Descriptor: | immunoglobulin-binding protein G | Authors: | Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D. | Deposit date: | 2002-08-21 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2 Protein Sci., 11, 2002
|
|
2LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lpb by Molmil](/molmil-images/mine/2lpb) | Structure of the complex of the central activation domain of Gcn4 bound to the mediator co-activator domain 1 of Gal11/med15 | Descriptor: | General control protein GCN4, Mediator of RNA polymerase II transcription subunit 15 | Authors: | Brzovic, P.S, Heikaus, C.C, Kisselev, L, Vernon, R, Herbig, E, Pacheco, D, Warfield, L, Littlefield, P, Baker, D, Klevit, R.E, Hahn, S. | Deposit date: | 2012-02-07 | Release date: | 2012-02-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The acidic transcription activator Gcn4 binds the mediator subunit Gal11/Med15 using a simple protein interface forming a fuzzy complex. Mol.Cell, 44, 2011
|
|
6WI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wi5 by Molmil](/molmil-images/mine/6wi5) | |
6WXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wxo by Molmil](/molmil-images/mine/6wxo) | De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE | Descriptor: | GLYCEROL, SULFATE ION, TFD-HE | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | Deposit date: | 2020-05-11 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7CBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cbc by Molmil](/molmil-images/mine/7cbc) | |
6X1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x1k by Molmil](/molmil-images/mine/6x1k) | Solution NMR structure of de novo designed TMB2.3 | Descriptor: | De novo designed transmembrane beta-barrel TMB2.3 | Authors: | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | Deposit date: | 2020-05-19 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of transmembrane beta barrels. Science, 371, 2021
|
|
2LCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lcb by Molmil](/molmil-images/mine/2lcb) | Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant | Descriptor: | Lysozyme | Authors: | Bouvignies, G, Vallurupalli, P, Hansen, D, Correia, B, Lange, O, Bah, A, Vernon, R.M, Dahlquist, F.W, Baker, D, Kay, L.E. | Deposit date: | 2011-04-26 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature, 477, 2011
|
|
2LC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lc9 by Molmil](/molmil-images/mine/2lc9) | Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant | Descriptor: | Lysozyme | Authors: | Bouvignies, G, Vallurupalli, P, Hansen, D, Correia, B, Lange, O, Bah, A, Vernon, R.M, Dahlquist, F.W, Baker, D, Kay, L.E. | Deposit date: | 2011-04-26 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature, 477, 2011
|
|
2L9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l9v by Molmil](/molmil-images/mine/2l9v) | NMR structure of the FF domain L24A mutant's folding transition state | Descriptor: | Pre-mRNA-processing factor 40 homolog A | Authors: | Korzhnev, D.M, Vernon, R.M, Religa, T.L, Hansen, A, Baker, D, Fersht, A.R, Kay, L.E. | Deposit date: | 2011-02-24 | Release date: | 2011-09-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study. J.Am.Chem.Soc., 133, 2011
|
|
4UOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uot by Molmil](/molmil-images/mine/4uot) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE 5H2L | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
|
|
8VEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vei by Molmil](/molmil-images/mine/8vei) | |
8VEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vej by Molmil](/molmil-images/mine/8vej) | De novo designed cholic acid binder: CHD_buttress | Descriptor: | CHD_buttress, CHOLIC ACID | Authors: | Bera, A.K, Tran, L, Kang, A, Baker, D. | Deposit date: | 2023-12-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Binding and sensing diverse small molecules using shape-complementary pseudocycles. Science, 385, 2024
|
|
2LPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lpz by Molmil](/molmil-images/mine/2lpz) | Atomic model of the Type-III Secretion System Needle | Descriptor: | Protein prgI | Authors: | Loquet, A, Sgourakis, N.G, Gupta, R, Giller, K, Riedel, D, Goosmann, C, Griesinger, C, Kolbe, M.G, Baker, D, Becker, S, Lange, A. | Deposit date: | 2012-02-21 | Release date: | 2012-05-16 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Atomic model of the type III secretion system needle. Nature, 486, 2012
|
|
4UOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uos by Molmil](/molmil-images/mine/4uos) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
|
|
8VC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vc8 by Molmil](/molmil-images/mine/8vc8) | |
2L69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l69 by Molmil](/molmil-images/mine/2l69) | Solution NMR Structure of de novo designed protein, P-loop NTPase fold, Northeast Structural Genomics Consortium Target OR28 | Descriptor: | Rossmann 2x3 fold protein | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Mao, A, Mao, B, Patel, D, Ciccosanti, C, Hamilton, K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-11-17 | Release date: | 2011-01-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of de novo designed rossmann 2x3 fold protein, Northeast Structural Genomics Consortium Target OR28 To be Published
|
|
2KS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ks6 by Molmil](/molmil-images/mine/2ks6) | |
5KCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kci by Molmil](/molmil-images/mine/5kci) | Crystal Structure of HTC1 | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | Deposit date: | 2016-06-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Determining crystal structures through crowdsourcing and coursework. Nat Commun, 7, 2016
|
|
6O0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o0i by Molmil](/molmil-images/mine/6o0i) | NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Q38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q38 by Molmil](/molmil-images/mine/6q38) | The Crystal structure of CK2a bound to P1-C4 | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ... | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | Deposit date: | 2018-12-03 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
|
|